Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602632 | 2n95 RC | 25881 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -2 HT1 GLY -2 -31.312 5.256 -1.140
2 H2 GLY -2 HT2 GLY -2 -29.875 5.539 -0.297
3 H3 GLY -2 HT3 GLY -2 -29.937 4.335 -1.480
4 HA2 GLY -2 HA1 GLY -2 -30.292 5.984 -3.198
5 HA3 GLY -2 HA2 GLY -2 -30.240 7.243 -1.973
6 HA PRO -1 HA PRO -1 -25.942 6.172 -3.627
7 HB2 PRO -1 HB2 PRO -1 -25.890 8.656 -5.109
8 HB3 PRO -1 HB1 PRO -1 -25.748 7.008 -5.717
9 HG2 PRO -1 HG2 PRO -1 -27.895 8.615 -6.218
10 HG3 PRO -1 HG1 PRO -1 -27.984 6.845 -6.174
11 HD2 PRO -1 HD2 PRO -1 -28.746 8.835 -4.070
12 HD3 PRO -1 HD1 PRO -1 -29.580 7.349 -4.571
13 H HIS 0 HN HIS 0 -25.479 6.639 -1.373
14 HA HIS 0 HA HIS 0 -24.518 9.395 -0.984
15 HB2 HIS 0 HB2 HIS 0 -26.225 8.672 0.659
16 HB3 HIS 0 HB1 HIS 0 -25.179 7.342 1.139
17 HD1 HIS 0 HD1 HIS 0 -23.911 7.828 3.206
18 HD2 HIS 0 HD2 HIS 0 -24.679 11.282 1.025
19 HE1 HIS 0 HE1 HIS 0 -22.935 9.710 4.552
20 HE2 HIS 0 HE2 HIS 0 -23.330 11.779 3.173
21 H MET 1 HN MET 1 -23.628 6.073 -1.197
22 HA MET 1 HA MET 1 -21.114 6.311 0.124
23 HB2 MET 1 HB2 MET 1 -20.636 4.101 -0.685
24 HB3 MET 1 HB1 MET 1 -22.316 4.145 -0.181
25 HG2 MET 1 HG2 MET 1 -22.483 2.993 -2.141
26 HG3 MET 1 HG1 MET 1 -22.760 4.637 -2.705
27 HE1 MET 1 HE1 MET 1 -19.485 2.650 -1.711
28 HE2 MET 1 HE2 MET 1 -18.879 2.216 -3.308
29 HE3 MET 1 HE3 MET 1 -20.400 1.539 -2.727
30 H VAL 2 HN VAL 2 -19.057 6.472 -0.760
31 HA VAL 2 HA VAL 2 -18.920 7.283 -3.587
32 HB VAL 2 HB VAL 2 -17.190 8.949 -3.003
33 HG11 VAL 2 HG11 VAL 2 -19.490 9.672 -3.295
34 HG12 VAL 2 HG12 VAL 2 -18.699 10.624 -2.041
35 HG13 VAL 2 HG13 VAL 2 -19.827 9.346 -1.595
36 HG21 VAL 2 HG21 VAL 2 -16.892 9.648 -0.678
37 HG22 VAL 2 HG22 VAL 2 -16.422 7.963 -0.902
38 HG23 VAL 2 HG23 VAL 2 -17.966 8.355 -0.147
39 H SER 3 HN SER 3 -18.324 4.797 -2.012
40 HA SER 3 HA SER 3 -16.782 3.151 -1.844
41 HB2 SER 3 HB2 SER 3 -16.627 3.462 -4.302
42 HB3 SER 3 HB1 SER 3 -15.352 4.653 -4.056
43 HG SER 3 HG SER 3 -14.009 3.073 -3.317
44 H SER 4 HN SER 4 -16.457 4.296 0.251
45 HA SER 4 HA SER 4 -14.078 5.882 0.569
46 HB2 SER 4 HB2 SER 4 -15.852 4.639 2.685
47 HB3 SER 4 HB1 SER 4 -14.695 5.951 2.918
48 HG SER 4 HG SER 4 -15.969 7.292 1.703
49 H ALA 5 HN ALA 5 -13.208 3.689 -0.597
50 HA ALA 5 HA ALA 5 -11.484 2.492 1.395
51 HB1 ALA 5 HB1 ALA 5 -11.937 0.189 0.675
52 HB2 ALA 5 HB2 ALA 5 -13.231 0.772 -0.372
53 HB3 ALA 5 HB3 ALA 5 -13.375 0.930 1.378
54 H VAL 6 HN VAL 6 -9.876 1.055 0.289
55 HA VAL 6 HA VAL 6 -9.186 2.207 -2.314
56 HB VAL 6 HB VAL 6 -8.179 3.472 -0.365
57 HG11 VAL 6 HG11 VAL 6 -7.736 1.563 1.082
58 HG12 VAL 6 HG12 VAL 6 -6.274 2.498 0.781
59 HG13 VAL 6 HG13 VAL 6 -6.531 0.970 -0.060
60 HG21 VAL 6 HG21 VAL 6 -7.271 3.652 -2.574
61 HG22 VAL 6 HG22 VAL 6 -6.317 2.189 -2.339
62 HG23 VAL 6 HG23 VAL 6 -5.966 3.634 -1.391
63 H LYS 7 HN LYS 7 -7.645 0.922 -3.503
64 HA LYS 7 HA LYS 7 -7.676 -1.891 -2.693
65 HB2 LYS 7 HB2 LYS 7 -6.846 -0.685 -5.338
66 HB3 LYS 7 HB1 LYS 7 -7.049 -2.395 -4.982
67 HG2 LYS 7 HG2 LYS 7 -9.252 -0.353 -4.933
68 HG3 LYS 7 HG1 LYS 7 -8.921 -1.471 -6.258
69 HD2 LYS 7 HD2 LYS 7 -9.229 -3.351 -4.638
70 HD3 LYS 7 HD1 LYS 7 -9.754 -2.162 -3.446
71 HE2 LYS 7 HE2 LYS 7 -11.549 -1.459 -4.981
72 HE3 LYS 7 HE1 LYS 7 -11.041 -2.711 -6.112
73 HZ1 LYS 7 HZ1 LYS 7 -12.910 -3.441 -4.777
74 HZ2 LYS 7 HZ2 LYS 7 -12.037 -3.173 -3.354
75 HZ3 LYS 7 HZ3 LYS 7 -11.544 -4.377 -4.434
76 H CYS 8 HN CYS 8 -5.739 -3.176 -2.920
77 HA CYS 8 HA CYS 8 -3.448 -2.016 -1.757
78 HB2 CYS 8 HB2 CYS 8 -4.053 -4.434 -1.658
79 HB3 CYS 8 HB1 CYS 8 -3.630 -4.578 -3.353
80 H GLY 9 HN GLY 9 -2.157 -0.583 -2.730
81 HA2 GLY 9 HA2 GLY 9 -2.115 -0.283 -5.578
82 HA3 GLY 9 HA1 GLY 9 -1.145 0.613 -4.421
83 H ILE 10 HN ILE 10 -0.675 -2.583 -3.762
84 HA ILE 10 HA ILE 10 1.885 -2.477 -5.173
85 HB ILE 10 HB ILE 10 1.103 -4.235 -2.847
86 HG12 ILE 10 HG12 ILE 10 2.416 -1.525 -2.990
87 HG13 ILE 10 HG11 ILE 10 1.010 -2.009 -2.050
88 HG21 ILE 10 HG21 ILE 10 2.941 -5.124 -4.187
89 HG22 ILE 10 HG22 ILE 10 3.515 -4.582 -2.610
90 HG23 ILE 10 HG23 ILE 10 3.797 -3.589 -4.040
91 HD11 ILE 10 HD11 ILE 10 2.417 -3.327 -0.591
92 HD12 ILE 10 HD12 ILE 10 2.972 -1.655 -0.659
93 HD13 ILE 10 HD13 ILE 10 3.830 -2.907 -1.554
94 H CYS 11 HN CYS 11 -0.934 -4.552 -4.664
95 HA CYS 11 HA CYS 11 0.088 -6.225 -6.862
96 HB2 CYS 11 HB2 CYS 11 -0.841 -8.201 -5.876
97 HB3 CYS 11 HB1 CYS 11 0.137 -7.389 -4.658
98 H ARG 12 HN ARG 12 -2.385 -4.270 -5.699
99 HA ARG 12 HA ARG 12 -4.412 -3.646 -6.424
100 HB2 ARG 12 HB2 ARG 12 -3.171 -4.634 -8.978
101 HB3 ARG 12 HB1 ARG 12 -4.792 -3.952 -8.946
102 HG2 ARG 12 HG2 ARG 12 -3.359 -2.183 -9.538
103 HG3 ARG 12 HG1 ARG 12 -3.791 -1.922 -7.850
104 HD2 ARG 12 HD2 ARG 12 -1.438 -1.477 -8.196
105 HD3 ARG 12 HD1 ARG 12 -1.657 -2.877 -7.149
106 HE ARG 12 HE ARG 12 -1.373 -3.991 -9.595
107 HH11 ARG 12 HH11 ARG 12 0.504 -1.618 -7.825
108 HH12 ARG 12 HH12 ARG 12 2.010 -2.096 -8.541
109 HH21 ARG 12 HH21 ARG 12 0.626 -4.627 -10.520
110 HH22 ARG 12 HH22 ARG 12 2.081 -3.795 -10.068
111 H GLY 13 HN GLY 13 -4.161 -6.266 -5.268
112 HA2 GLY 13 HA2 GLY 13 -6.015 -7.941 -6.747
113 HA3 GLY 13 HA1 GLY 13 -5.199 -8.356 -5.249
114 H VAL 14 HN VAL 14 -5.946 -7.076 -3.298
115 HA VAL 14 HA VAL 14 -8.855 -6.670 -3.473
116 HB VAL 14 HB VAL 14 -9.096 -7.470 -1.200
117 HG11 VAL 14 HG11 VAL 14 -8.504 -9.824 -1.511
118 HG12 VAL 14 HG12 VAL 14 -7.465 -9.379 -2.863
119 HG13 VAL 14 HG13 VAL 14 -9.208 -9.129 -2.970
120 HG21 VAL 14 HG21 VAL 14 -6.982 -6.731 -0.264
121 HG22 VAL 14 HG22 VAL 14 -6.114 -7.915 -1.241
122 HG23 VAL 14 HG23 VAL 14 -7.211 -8.456 0.029
123 H ASP 15 HN ASP 15 -9.334 -5.593 -1.020
124 HA ASP 15 HA ASP 15 -8.641 -2.903 -1.375
125 HB2 ASP 15 HB2 ASP 15 -9.681 -2.551 0.846
126 HB3 ASP 15 HB1 ASP 15 -10.684 -3.517 -0.229
127 H GLY 16 HN GLY 16 -7.266 -1.553 -0.317
128 HA2 GLY 16 HA2 GLY 16 -4.950 -2.785 0.950
129 HA3 GLY 16 HA1 GLY 16 -5.111 -1.095 0.477
130 H LYS 17 HN LYS 17 -6.267 -3.487 2.770
131 HA LYS 17 HA LYS 17 -7.501 -1.684 4.556
132 HB2 LYS 17 HB2 LYS 17 -7.270 -3.659 6.162
133 HB3 LYS 17 HB1 LYS 17 -8.199 -3.914 4.692
134 HG2 LYS 17 HG2 LYS 17 -6.395 -5.088 3.668
135 HG3 LYS 17 HG1 LYS 17 -5.302 -4.676 4.989
136 HD2 LYS 17 HD2 LYS 17 -5.889 -6.821 5.552
137 HD3 LYS 17 HD1 LYS 17 -7.091 -5.895 6.448
138 HE2 LYS 17 HE2 LYS 17 -7.511 -7.196 3.759
139 HE3 LYS 17 HE1 LYS 17 -8.083 -7.818 5.303
140 HZ1 LYS 17 HZ1 LYS 17 -9.364 -5.691 5.515
141 HZ2 LYS 17 HZ2 LYS 17 -9.890 -6.727 4.292
142 HZ3 LYS 17 HZ3 LYS 17 -8.976 -5.359 3.895
143 H TYR 18 HN TYR 18 -4.218 -2.702 4.155
144 HA TYR 18 HA TYR 18 -3.450 -1.493 6.719
145 HB2 TYR 18 HB2 TYR 18 -2.070 -3.413 4.852
146 HB3 TYR 18 HB1 TYR 18 -1.201 -2.595 6.139
147 HD1 TYR 18 HD1 TYR 18 -4.658 -3.804 6.532
148 HD2 TYR 18 HD2 TYR 18 -0.547 -4.613 7.235
149 HE1 TYR 18 HE1 TYR 18 -5.285 -5.659 8.008
150 HE2 TYR 18 HE2 TYR 18 -1.161 -6.463 8.730
151 HH TYR 18 HH TYR 18 -4.268 -7.767 8.841
152 H LYS 19 HN LYS 19 -1.587 0.001 6.708
153 HA LYS 19 HA LYS 19 -1.171 1.317 4.115
154 HB2 LYS 19 HB2 LYS 19 -3.055 2.362 5.503
155 HB3 LYS 19 HB1 LYS 19 -1.799 2.875 6.617
156 HG2 LYS 19 HG2 LYS 19 -1.581 3.594 3.731
157 HG3 LYS 19 HG1 LYS 19 -2.678 4.489 4.775
158 HD2 LYS 19 HD2 LYS 19 -0.650 4.751 6.332
159 HD3 LYS 19 HD1 LYS 19 0.303 4.250 4.933
160 HE2 LYS 19 HE2 LYS 19 -0.489 6.101 3.646
161 HE3 LYS 19 HE1 LYS 19 -1.650 6.542 4.895
162 HZ1 LYS 19 HZ1 LYS 19 0.195 7.047 6.375
163 HZ2 LYS 19 HZ2 LYS 19 0.284 7.971 4.964
164 HZ3 LYS 19 HZ3 LYS 19 1.306 6.643 5.165
165 H CYS 20 HN CYS 20 0.772 2.414 3.895
166 HA CYS 20 HA CYS 20 2.800 1.704 5.890
167 HB2 CYS 20 HB2 CYS 20 3.112 1.011 3.509
168 HB3 CYS 20 HB1 CYS 20 3.179 2.708 3.060
169 HA PRO 21 HA PRO 21 2.422 6.058 7.042
170 HB2 PRO 21 HB2 PRO 21 3.911 5.861 9.294
171 HB3 PRO 21 HB1 PRO 21 2.230 5.319 9.214
172 HG2 PRO 21 HG2 PRO 21 4.750 3.712 8.987
173 HG3 PRO 21 HG1 PRO 21 3.283 3.360 9.920
174 HD2 PRO 21 HD2 PRO 21 3.769 2.213 7.528
175 HD3 PRO 21 HD1 PRO 21 2.128 2.618 8.064
176 H LYS 22 HN LYS 22 4.983 4.385 5.795
177 HA LYS 22 HA LYS 22 6.995 6.424 6.310
178 HB2 LYS 22 HB2 LYS 22 7.207 3.930 4.620
179 HB3 LYS 22 HB1 LYS 22 8.533 4.932 5.187
180 HG2 LYS 22 HG2 LYS 22 6.680 3.391 6.989
181 HG3 LYS 22 HG1 LYS 22 8.249 2.810 6.437
182 HD2 LYS 22 HD2 LYS 22 7.803 5.338 8.020
183 HD3 LYS 22 HD1 LYS 22 8.312 3.796 8.707
184 HE2 LYS 22 HE2 LYS 22 9.820 5.375 6.625
185 HE3 LYS 22 HE1 LYS 22 10.203 5.319 8.341
186 HZ1 LYS 22 HZ1 LYS 22 11.593 3.820 7.041
187 HZ2 LYS 22 HZ2 LYS 22 10.225 2.978 6.515
188 HZ3 LYS 22 HZ3 LYS 22 10.646 2.967 8.151
189 H CYS 23 HN CYS 23 5.423 4.915 3.484
190 HA CYS 23 HA CYS 23 6.319 7.195 1.869
191 HB2 CYS 23 HB2 CYS 23 5.893 5.736 -0.081
192 HB3 CYS 23 HB1 CYS 23 7.050 5.030 1.037
193 H GLY 24 HN GLY 24 3.499 5.317 2.799
194 HA2 GLY 24 HA2 GLY 24 1.385 6.465 3.052
195 HA3 GLY 24 HA1 GLY 24 1.811 7.442 1.655
196 H VAL 25 HN VAL 25 2.559 4.101 1.511
197 HA VAL 25 HA VAL 25 0.676 3.799 -0.666
198 HB VAL 25 HB VAL 25 3.102 2.940 -0.656
199 HG11 VAL 25 HG11 VAL 25 3.280 1.781 1.367
200 HG12 VAL 25 HG12 VAL 25 3.230 0.530 0.127
201 HG13 VAL 25 HG13 VAL 25 1.791 0.877 1.085
202 HG21 VAL 25 HG21 VAL 25 2.529 1.017 -2.065
203 HG22 VAL 25 HG22 VAL 25 1.530 2.424 -2.428
204 HG23 VAL 25 HG23 VAL 25 0.867 1.093 -1.480
205 H ARG 26 HN ARG 26 -0.721 1.943 -0.810
206 HA ARG 26 HA ARG 26 -1.724 1.042 1.805
207 HB2 ARG 26 HB2 ARG 26 -3.160 1.855 -0.706
208 HB3 ARG 26 HB1 ARG 26 -3.915 0.748 0.431
209 HG2 ARG 26 HG2 ARG 26 -2.844 3.414 1.288
210 HG3 ARG 26 HG1 ARG 26 -4.479 3.214 0.653
211 HD2 ARG 26 HD2 ARG 26 -4.899 1.509 2.394
212 HD3 ARG 26 HD1 ARG 26 -3.299 1.829 3.057
213 HE ARG 26 HE ARG 26 -4.452 4.270 3.063
214 HH11 ARG 26 HH11 ARG 26 -5.532 1.149 4.208
215 HH12 ARG 26 HH12 ARG 26 -6.420 1.804 5.546
216 HH21 ARG 26 HH21 ARG 26 -5.590 5.139 4.845
217 HH22 ARG 26 HH22 ARG 26 -6.454 4.074 5.908
218 H TYR 27 HN TYR 27 -1.439 -1.062 2.125
219 HA TYR 27 HA TYR 27 -1.402 -2.818 -0.231
220 HB2 TYR 27 HB2 TYR 27 -0.050 -4.310 1.570
221 HB3 TYR 27 HB1 TYR 27 0.710 -3.284 0.371
222 HD1 TYR 27 HD1 TYR 27 -0.844 -2.705 3.708
223 HD2 TYR 27 HD2 TYR 27 2.550 -2.204 1.215
224 HE1 TYR 27 HE1 TYR 27 0.294 -1.490 5.508
225 HE2 TYR 27 HE2 TYR 27 3.701 -0.993 3.013
226 HH TYR 27 HH TYR 27 2.476 -0.922 6.228
227 H CYS 28 HN CYS 28 -2.090 -4.968 0.111
228 HA CYS 28 HA CYS 28 -4.608 -4.993 1.426
229 HB2 CYS 28 HB2 CYS 28 -4.813 -7.245 0.444
230 HB3 CYS 28 HB1 CYS 28 -4.314 -6.052 -0.744
231 H SER 29 HN SER 29 -1.443 -5.989 2.305
232 HA SER 29 HA SER 29 -2.148 -6.742 4.904
233 HB2 SER 29 HB2 SER 29 -3.120 -8.721 3.685
234 HB3 SER 29 HB1 SER 29 -1.498 -9.114 3.128
235 HG SER 29 HG SER 29 -2.495 -10.057 5.225
236 H LEU 30 HN LEU 30 -0.194 -8.408 5.672
237 HA LEU 30 HA LEU 30 2.153 -6.834 5.535
238 HB2 LEU 30 HB2 LEU 30 1.449 -8.361 7.415
239 HB3 LEU 30 HB1 LEU 30 1.930 -9.713 6.410
240 HG LEU 30 HG LEU 30 4.250 -8.754 6.365
241 HD11 LEU 30 HD11 LEU 30 4.823 -7.113 8.091
242 HD12 LEU 30 HD12 LEU 30 3.114 -6.940 8.486
243 HD13 LEU 30 HD13 LEU 30 3.708 -6.449 6.900
244 HD21 LEU 30 HD21 LEU 30 3.630 -10.589 7.855
245 HD22 LEU 30 HD22 LEU 30 3.112 -9.426 9.075
246 HD23 LEU 30 HD23 LEU 30 4.811 -9.521 8.612
247 H LYS 31 HN LYS 31 0.870 -9.321 3.576
248 HA LYS 31 HA LYS 31 3.101 -10.541 2.461
249 HB2 LYS 31 HB2 LYS 31 0.583 -9.765 0.976
250 HB3 LYS 31 HB1 LYS 31 1.699 -11.055 0.550
251 HG2 LYS 31 HG2 LYS 31 -0.016 -10.962 3.023
252 HG3 LYS 31 HG1 LYS 31 -0.342 -11.913 1.574
253 HD2 LYS 31 HD2 LYS 31 1.722 -13.164 1.921
254 HD3 LYS 31 HD1 LYS 31 2.077 -12.198 3.355
255 HE2 LYS 31 HE2 LYS 31 0.004 -13.018 4.392
256 HE3 LYS 31 HE1 LYS 31 -0.295 -14.018 2.972
257 HZ1 LYS 31 HZ1 LYS 31 1.731 -15.224 3.420
258 HZ2 LYS 31 HZ2 LYS 31 0.729 -15.268 4.781
259 HZ3 LYS 31 HZ3 LYS 31 2.068 -14.238 4.751
260 H CYS 32 HN CYS 32 1.370 -7.675 1.290
261 HA CYS 32 HA CYS 32 3.478 -7.090 -0.600
262 HB2 CYS 32 HB2 CYS 32 0.873 -5.688 0.030
263 HB3 CYS 32 HB1 CYS 32 1.994 -5.169 -1.225
264 H TYR 33 HN TYR 33 2.612 -6.228 2.602
265 HA TYR 33 HA TYR 33 3.817 -3.706 2.812
266 HB2 TYR 33 HB2 TYR 33 2.386 -4.842 4.573
267 HB3 TYR 33 HB1 TYR 33 3.788 -5.823 4.976
268 HD1 TYR 33 HD1 TYR 33 5.370 -2.952 4.214
269 HD2 TYR 33 HD2 TYR 33 2.615 -4.379 7.121
270 HE1 TYR 33 HE1 TYR 33 6.089 -1.176 5.749
271 HE2 TYR 33 HE2 TYR 33 3.346 -2.623 8.681
272 HH TYR 33 HH TYR 33 5.252 -1.166 9.066
273 H LYS 34 HN LYS 34 5.161 -6.869 3.805
274 HA LYS 34 HA LYS 34 7.817 -5.735 3.836
275 HB2 LYS 34 HB2 LYS 34 6.777 -8.486 4.494
276 HB3 LYS 34 HB1 LYS 34 8.479 -8.047 4.573
277 HG2 LYS 34 HG2 LYS 34 7.833 -6.224 6.168
278 HG3 LYS 34 HG1 LYS 34 6.215 -6.926 6.202
279 HD2 LYS 34 HD2 LYS 34 7.072 -8.998 7.072
280 HD3 LYS 34 HD1 LYS 34 8.734 -8.441 6.881
281 HE2 LYS 34 HE2 LYS 34 8.278 -6.649 8.519
282 HE3 LYS 34 HE1 LYS 34 6.661 -7.308 8.753
283 HZ1 LYS 34 HZ1 LYS 34 8.117 -8.097 10.470
284 HZ2 LYS 34 HZ2 LYS 34 9.222 -8.684 9.337
285 HZ3 LYS 34 HZ3 LYS 34 7.698 -9.395 9.474
286 H ASP 35 HN ASP 35 7.031 -5.433 1.404
287 HA ASP 35 HA ASP 35 8.458 -7.471 -0.157
288 HB2 ASP 35 HB2 ASP 35 6.137 -7.288 -0.847
289 HB3 ASP 35 HB1 ASP 35 6.269 -5.540 -0.962
290 H ALA 36 HN ALA 36 10.042 -6.729 -1.589
291 HA ALA 36 HA ALA 36 10.708 -3.870 -1.396
292 HB1 ALA 36 HB1 ALA 36 13.081 -4.441 -1.291
293 HB2 ALA 36 HB2 ALA 36 12.672 -6.157 -1.288
294 HB3 ALA 36 HB3 ALA 36 12.199 -5.135 0.069
295 H ALA 37 HN ALA 37 9.279 -5.440 -3.408
296 HA ALA 37 HA ALA 37 11.092 -4.990 -5.702
297 HB1 ALA 37 HB1 ALA 37 9.760 -6.697 -6.903
298 HB2 ALA 37 HB2 ALA 37 8.854 -6.996 -5.417
299 HB3 ALA 37 HB3 ALA 37 10.580 -7.348 -5.484
300 H LYS 38 HN LYS 38 7.779 -4.910 -4.529
301 HA LYS 38 HA LYS 38 7.093 -2.914 -6.584
302 HB2 LYS 38 HB2 LYS 38 5.264 -4.631 -4.904
303 HB3 LYS 38 HB1 LYS 38 4.765 -3.519 -6.171
304 HG2 LYS 38 HG2 LYS 38 5.788 -4.876 -7.851
305 HG3 LYS 38 HG1 LYS 38 6.518 -5.919 -6.627
306 HD2 LYS 38 HD2 LYS 38 4.239 -6.518 -5.864
307 HD3 LYS 38 HD1 LYS 38 3.579 -5.585 -7.208
308 HE2 LYS 38 HE2 LYS 38 4.741 -7.025 -8.786
309 HE3 LYS 38 HE1 LYS 38 5.442 -7.940 -7.456
310 HZ1 LYS 38 HZ1 LYS 38 2.563 -7.759 -8.148
311 HZ2 LYS 38 HZ2 LYS 38 3.176 -8.551 -6.786
312 HZ3 LYS 38 HZ3 LYS 38 3.564 -9.109 -8.331
313 H HIS 39 HN HIS 39 7.119 -3.680 -3.156
314 HA HIS 39 HA HIS 39 6.046 -1.092 -2.417
315 HB2 HIS 39 HB2 HIS 39 5.686 -3.156 -1.019
316 HB3 HIS 39 HB1 HIS 39 7.404 -3.136 -0.638
317 HD1 HIS 39 HD1 HIS 39 7.390 -2.477 1.815
318 HD2 HIS 39 HD2 HIS 39 4.991 -0.046 -0.546
319 HE1 HIS 39 HE1 HIS 39 6.643 -0.563 3.294
320 H VAL 40 HN VAL 40 7.421 0.444 -3.241
321 HA VAL 40 HA VAL 40 10.286 0.054 -2.887
322 HB VAL 40 HB VAL 40 8.855 2.143 -4.524
323 HG11 VAL 40 HG11 VAL 40 11.033 2.507 -5.580
324 HG12 VAL 40 HG12 VAL 40 11.764 1.356 -4.462
325 HG13 VAL 40 HG13 VAL 40 11.079 2.862 -3.853
326 HG21 VAL 40 HG21 VAL 40 10.172 -0.432 -5.381
327 HG22 VAL 40 HG22 VAL 40 9.504 0.791 -6.462
328 HG23 VAL 40 HG23 VAL 40 8.439 -0.102 -5.377
329 H HIS 41 HN HIS 41 11.456 1.020 -1.496
330 HA HIS 41 HA HIS 41 10.484 3.520 -0.323
331 HB2 HIS 41 HB2 HIS 41 11.470 1.066 1.000
332 HB3 HIS 41 HB1 HIS 41 12.046 2.596 1.664
333 HD1 HIS 41 HD1 HIS 41 10.186 0.981 3.438
334 HD2 HIS 41 HD2 HIS 41 8.832 3.718 0.630
335 HE1 HIS 41 HE1 HIS 41 7.955 1.827 4.280
336 H LYS 42 HN LYS 42 11.708 4.118 -2.315
337 HA LYS 42 HA LYS 42 14.589 4.239 -1.958
338 HB2 LYS 42 HB2 LYS 42 13.687 3.797 -4.196
339 HB3 LYS 42 HB1 LYS 42 12.786 5.305 -4.144
340 HG2 LYS 42 HG2 LYS 42 14.928 6.529 -4.015
341 HG3 LYS 42 HG1 LYS 42 15.775 4.992 -4.196
342 HD2 LYS 42 HD2 LYS 42 14.712 4.648 -6.362
343 HD3 LYS 42 HD1 LYS 42 13.822 6.160 -6.179
344 HE2 LYS 42 HE2 LYS 42 15.749 6.492 -7.611
345 HE3 LYS 42 HE1 LYS 42 15.949 7.385 -6.104
346 HZ1 LYS 42 HZ1 LYS 42 17.989 6.278 -6.692
347 HZ2 LYS 42 HZ2 LYS 42 17.199 4.780 -6.778
348 HZ3 LYS 42 HZ3 LYS 42 17.351 5.569 -5.291
349 H GLU 43 HN GLU 43 11.791 6.366 -2.165
350 HA GLU 43 HA GLU 43 11.336 8.448 -1.432
351 HB2 GLU 43 HB2 GLU 43 12.643 7.400 0.633
352 HB3 GLU 43 HB1 GLU 43 13.823 8.625 0.202
353 HG2 GLU 43 HG2 GLU 43 10.927 9.185 0.786
354 HG3 GLU 43 HG1 GLU 43 12.229 9.318 1.963
355 H SER 44 HN SER 44 14.847 8.829 -1.185
356 HA SER 44 HA SER 44 14.737 10.635 -3.511
357 HB2 SER 44 HB2 SER 44 15.295 11.744 -1.338
358 HB3 SER 44 HB1 SER 44 16.695 10.687 -1.189
359 HG SER 44 HG SER 44 16.308 12.919 -2.773
360 H GLU 45 HN GLU 45 17.294 10.803 -4.298
361 HA GLU 45 HA GLU 45 17.890 8.312 -5.464
362 HB2 GLU 45 HB2 GLU 45 18.677 10.517 -6.336
363 HB3 GLU 45 HB1 GLU 45 19.804 10.610 -4.989
364 HG2 GLU 45 HG2 GLU 45 20.915 9.867 -7.010
365 HG3 GLU 45 HG1 GLU 45 20.927 8.600 -5.783
366 H GLN 46 HN GLN 46 19.387 10.039 -2.775
367 HA GLN 46 HA GLN 46 19.915 7.498 -1.462
368 HB2 GLN 46 HB2 GLN 46 22.002 9.533 -2.177
369 HB3 GLN 46 HB1 GLN 46 22.186 8.547 -0.733
370 HG2 GLN 46 HG2 GLN 46 21.831 7.480 -3.524
371 HG3 GLN 46 HG1 GLN 46 23.369 7.623 -2.675
372 HE21 GLN 46 HE21 GLN 46 22.033 5.255 -3.715
373 HE22 GLN 46 HE22 GLN 46 21.826 4.190 -2.369
Start of MODEL 2
1 H1 GLY -2 HT1 GLY -2 -12.924 10.621 6.664
2 H2 GLY -2 HT2 GLY -2 -13.056 10.592 4.979
3 H3 GLY -2 HT3 GLY -2 -13.009 9.142 5.848
4 HA2 GLY -2 HA1 GLY -2 -15.117 9.652 6.889
5 HA3 GLY -2 HA2 GLY -2 -15.165 11.170 6.004
6 HA PRO -1 HA PRO -1 -16.517 7.400 3.329
7 HB2 PRO -1 HB2 PRO -1 -18.854 6.505 4.336
8 HB3 PRO -1 HB1 PRO -1 -17.293 5.857 4.851
9 HG2 PRO -1 HG2 PRO -1 -19.058 7.851 6.208
10 HG3 PRO -1 HG1 PRO -1 -18.137 6.510 6.911
11 HD2 PRO -1 HD2 PRO -1 -17.305 9.119 6.956
12 HD3 PRO -1 HD1 PRO -1 -16.202 7.730 7.002
13 H HIS 0 HN HIS 0 -16.752 9.452 2.136
14 HA HIS 0 HA HIS 0 -19.553 10.355 1.995
15 HB2 HIS 0 HB2 HIS 0 -18.746 12.465 1.088
16 HB3 HIS 0 HB1 HIS 0 -17.956 12.132 2.623
17 HD1 HIS 0 HD1 HIS 0 -17.275 12.852 -0.913
18 HD2 HIS 0 HD2 HIS 0 -15.187 11.334 2.344
19 HE1 HIS 0 HE1 HIS 0 -14.847 12.996 -1.540
20 HE2 HIS 0 HE2 HIS 0 -13.604 12.254 0.518
21 H MET 1 HN MET 1 -17.732 8.200 0.552
22 HA MET 1 HA MET 1 -18.702 8.862 -2.145
23 HB2 MET 1 HB2 MET 1 -16.276 7.251 -1.371
24 HB3 MET 1 HB1 MET 1 -16.888 7.399 -3.011
25 HG2 MET 1 HG2 MET 1 -16.532 9.834 -2.890
26 HG3 MET 1 HG1 MET 1 -15.827 9.623 -1.289
27 HE1 MET 1 HE1 MET 1 -12.687 7.396 -2.138
28 HE2 MET 1 HE2 MET 1 -14.303 6.840 -1.703
29 HE3 MET 1 HE3 MET 1 -13.580 8.204 -0.851
30 H VAL 2 HN VAL 2 -18.851 6.730 -3.511
31 HA VAL 2 HA VAL 2 -21.006 5.312 -2.409
32 HB VAL 2 HB VAL 2 -20.827 5.595 -4.799
33 HG11 VAL 2 HG11 VAL 2 -19.181 4.344 -6.135
34 HG12 VAL 2 HG12 VAL 2 -18.391 3.828 -4.644
35 HG13 VAL 2 HG13 VAL 2 -18.427 5.537 -5.078
36 HG21 VAL 2 HG21 VAL 2 -22.106 3.686 -4.023
37 HG22 VAL 2 HG22 VAL 2 -20.651 2.688 -4.018
38 HG23 VAL 2 HG23 VAL 2 -21.294 3.301 -5.540
39 H SER 3 HN SER 3 -17.604 4.390 -2.792
40 HA SER 3 HA SER 3 -18.184 1.870 -1.398
41 HB2 SER 3 HB2 SER 3 -15.711 2.693 -2.941
42 HB3 SER 3 HB1 SER 3 -16.007 1.106 -2.232
43 HG SER 3 HG SER 3 -18.068 1.365 -3.640
44 H SER 4 HN SER 4 -15.961 4.647 -1.358
45 HA SER 4 HA SER 4 -14.581 5.479 0.248
46 HB2 SER 4 HB2 SER 4 -16.517 4.150 2.166
47 HB3 SER 4 HB1 SER 4 -15.406 5.468 2.543
48 HG SER 4 HG SER 4 -17.835 5.506 1.208
49 H ALA 5 HN ALA 5 -13.655 3.232 -0.899
50 HA ALA 5 HA ALA 5 -12.089 2.035 1.235
51 HB1 ALA 5 HB1 ALA 5 -12.472 -0.246 0.463
52 HB2 ALA 5 HB2 ALA 5 -13.616 0.340 -0.743
53 HB3 ALA 5 HB3 ALA 5 -13.989 0.494 0.973
54 H VAL 6 HN VAL 6 -10.171 1.174 0.589
55 HA VAL 6 HA VAL 6 -9.294 2.223 -2.009
56 HB VAL 6 HB VAL 6 -8.506 3.303 0.181
57 HG11 VAL 6 HG11 VAL 6 -6.568 2.258 1.257
58 HG12 VAL 6 HG12 VAL 6 -6.817 0.812 0.276
59 HG13 VAL 6 HG13 VAL 6 -8.039 1.305 1.448
60 HG21 VAL 6 HG21 VAL 6 -6.475 2.343 -1.808
61 HG22 VAL 6 HG22 VAL 6 -6.287 3.710 -0.711
62 HG23 VAL 6 HG23 VAL 6 -7.520 3.751 -1.969
63 H LYS 7 HN LYS 7 -7.639 1.009 -3.118
64 HA LYS 7 HA LYS 7 -7.768 -1.853 -2.464
65 HB2 LYS 7 HB2 LYS 7 -7.035 -0.546 -5.093
66 HB3 LYS 7 HB1 LYS 7 -7.222 -2.270 -4.799
67 HG2 LYS 7 HG2 LYS 7 -9.442 -0.270 -4.511
68 HG3 LYS 7 HG1 LYS 7 -9.141 -1.229 -5.962
69 HD2 LYS 7 HD2 LYS 7 -9.380 -3.284 -4.587
70 HD3 LYS 7 HD1 LYS 7 -9.816 -2.268 -3.211
71 HE2 LYS 7 HE2 LYS 7 -11.745 -1.429 -4.399
72 HE3 LYS 7 HE1 LYS 7 -11.281 -2.331 -5.840
73 HZ1 LYS 7 HZ1 LYS 7 -12.051 -3.519 -3.229
74 HZ2 LYS 7 HZ2 LYS 7 -11.601 -4.387 -4.607
75 HZ3 LYS 7 HZ3 LYS 7 -13.019 -3.467 -4.613
76 H CYS 8 HN CYS 8 -5.829 -3.135 -2.864
77 HA CYS 8 HA CYS 8 -3.528 -2.008 -1.663
78 HB2 CYS 8 HB2 CYS 8 -4.147 -4.437 -1.650
79 HB3 CYS 8 HB1 CYS 8 -3.703 -4.514 -3.344
80 H GLY 9 HN GLY 9 -2.261 -0.534 -2.618
81 HA2 GLY 9 HA2 GLY 9 -2.268 -0.148 -5.449
82 HA3 GLY 9 HA1 GLY 9 -1.275 0.709 -4.284
83 H ILE 10 HN ILE 10 -0.757 -2.489 -3.716
84 HA ILE 10 HA ILE 10 1.754 -2.341 -5.206
85 HB ILE 10 HB ILE 10 1.006 -4.150 -2.907
86 HG12 ILE 10 HG12 ILE 10 2.464 -1.512 -3.044
87 HG13 ILE 10 HG11 ILE 10 1.044 -1.920 -2.091
88 HG21 ILE 10 HG21 ILE 10 3.410 -4.613 -2.772
89 HG22 ILE 10 HG22 ILE 10 3.678 -3.612 -4.199
90 HG23 ILE 10 HG23 ILE 10 2.744 -5.101 -4.331
91 HD11 ILE 10 HD11 ILE 10 2.352 -3.296 -0.638
92 HD12 ILE 10 HD12 ILE 10 3.111 -1.709 -0.767
93 HD13 ILE 10 HD13 ILE 10 3.772 -3.083 -1.652
94 H CYS 11 HN CYS 11 -1.017 -4.473 -4.646
95 HA CYS 11 HA CYS 11 -0.055 -6.094 -6.909
96 HB2 CYS 11 HB2 CYS 11 -0.957 -8.078 -5.927
97 HB3 CYS 11 HB1 CYS 11 0.030 -7.277 -4.710
98 H ARG 12 HN ARG 12 -2.494 -4.161 -5.664
99 HA ARG 12 HA ARG 12 -4.521 -3.498 -6.346
100 HB2 ARG 12 HB2 ARG 12 -3.297 -4.420 -8.928
101 HB3 ARG 12 HB1 ARG 12 -4.914 -3.731 -8.880
102 HG2 ARG 12 HG2 ARG 12 -3.471 -1.952 -9.414
103 HG3 ARG 12 HG1 ARG 12 -3.902 -1.740 -7.720
104 HD2 ARG 12 HD2 ARG 12 -1.561 -1.296 -7.989
105 HD3 ARG 12 HD1 ARG 12 -1.765 -2.788 -7.077
106 HE ARG 12 HE ARG 12 -1.466 -3.721 -9.563
107 HH11 ARG 12 HH11 ARG 12 0.371 -1.341 -7.748
108 HH12 ARG 12 HH12 ARG 12 1.855 -1.672 -8.585
109 HH21 ARG 12 HH21 ARG 12 0.496 -4.154 -10.654
110 HH22 ARG 12 HH22 ARG 12 1.924 -3.256 -10.240
111 H GLY 13 HN GLY 13 -4.266 -6.208 -5.318
112 HA2 GLY 13 HA2 GLY 13 -6.183 -7.772 -6.839
113 HA3 GLY 13 HA1 GLY 13 -5.346 -8.279 -5.380
114 H VAL 14 HN VAL 14 -6.022 -7.023 -3.364
115 HA VAL 14 HA VAL 14 -8.940 -6.631 -3.444
116 HB VAL 14 HB VAL 14 -9.135 -7.545 -1.223
117 HG11 VAL 14 HG11 VAL 14 -9.224 -9.149 -3.032
118 HG12 VAL 14 HG12 VAL 14 -8.463 -9.869 -1.612
119 HG13 VAL 14 HG13 VAL 14 -7.472 -9.344 -2.970
120 HG21 VAL 14 HG21 VAL 14 -6.145 -7.897 -1.286
121 HG22 VAL 14 HG22 VAL 14 -7.218 -8.528 -0.040
122 HG23 VAL 14 HG23 VAL 14 -7.048 -6.787 -0.260
123 H ASP 15 HN ASP 15 -9.357 -5.683 -0.933
124 HA ASP 15 HA ASP 15 -8.728 -2.968 -1.191
125 HB2 ASP 15 HB2 ASP 15 -9.815 -2.667 0.954
126 HB3 ASP 15 HB1 ASP 15 -10.730 -3.818 -0.010
127 H GLY 16 HN GLY 16 -7.331 -1.635 -0.151
128 HA2 GLY 16 HA2 GLY 16 -4.956 -2.910 0.982
129 HA3 GLY 16 HA1 GLY 16 -5.091 -1.236 0.455
130 H LYS 17 HN LYS 17 -6.312 -3.481 2.894
131 HA LYS 17 HA LYS 17 -7.356 -1.500 4.605
132 HB2 LYS 17 HB2 LYS 17 -7.231 -3.382 6.332
133 HB3 LYS 17 HB1 LYS 17 -8.243 -3.619 4.913
134 HG2 LYS 17 HG2 LYS 17 -6.813 -5.171 3.984
135 HG3 LYS 17 HG1 LYS 17 -5.422 -4.602 4.910
136 HD2 LYS 17 HD2 LYS 17 -6.230 -6.760 5.745
137 HD3 LYS 17 HD1 LYS 17 -6.419 -5.488 6.953
138 HE2 LYS 17 HE2 LYS 17 -8.777 -5.247 6.293
139 HE3 LYS 17 HE1 LYS 17 -8.578 -6.580 5.158
140 HZ1 LYS 17 HZ1 LYS 17 -8.236 -6.750 8.102
141 HZ2 LYS 17 HZ2 LYS 17 -8.055 -8.031 7.015
142 HZ3 LYS 17 HZ3 LYS 17 -9.569 -7.313 7.229
143 H TYR 18 HN TYR 18 -4.145 -2.676 4.188
144 HA TYR 18 HA TYR 18 -3.293 -1.393 6.686
145 HB2 TYR 18 HB2 TYR 18 -2.098 -3.485 4.909
146 HB3 TYR 18 HB1 TYR 18 -1.041 -2.524 5.936
147 HD1 TYR 18 HD1 TYR 18 -4.217 -4.451 6.215
148 HD2 TYR 18 HD2 TYR 18 -0.502 -3.433 7.993
149 HE1 TYR 18 HE1 TYR 18 -4.695 -5.995 8.055
150 HE2 TYR 18 HE2 TYR 18 -0.964 -4.974 9.854
151 HH TYR 18 HH TYR 18 -3.064 -5.971 10.940
152 H LYS 19 HN LYS 19 -1.522 0.124 6.630
153 HA LYS 19 HA LYS 19 -1.114 1.397 4.015
154 HB2 LYS 19 HB2 LYS 19 -3.035 2.437 5.324
155 HB3 LYS 19 HB1 LYS 19 -1.840 2.949 6.501
156 HG2 LYS 19 HG2 LYS 19 -1.560 3.718 3.625
157 HG3 LYS 19 HG1 LYS 19 -2.632 4.608 4.696
158 HD2 LYS 19 HD2 LYS 19 -0.607 4.805 6.252
159 HD3 LYS 19 HD1 LYS 19 0.342 4.290 4.853
160 HE2 LYS 19 HE2 LYS 19 -0.470 6.181 3.575
161 HE3 LYS 19 HE1 LYS 19 -1.502 6.676 4.915
162 HZ1 LYS 19 HZ1 LYS 19 1.469 6.560 5.000
163 HZ2 LYS 19 HZ2 LYS 19 0.457 7.088 6.249
164 HZ3 LYS 19 HZ3 LYS 19 0.553 7.967 4.809
165 H CYS 20 HN CYS 20 0.821 2.504 3.790
166 HA CYS 20 HA CYS 20 2.824 1.889 5.847
167 HB2 CYS 20 HB2 CYS 20 3.135 1.142 3.453
168 HB3 CYS 20 HB1 CYS 20 3.308 2.836 3.011
169 HA PRO 21 HA PRO 21 2.260 6.226 6.946
170 HB2 PRO 21 HB2 PRO 21 3.991 6.173 9.063
171 HB3 PRO 21 HB1 PRO 21 2.314 5.620 9.145
172 HG2 PRO 21 HG2 PRO 21 4.821 4.021 8.783
173 HG3 PRO 21 HG1 PRO 21 3.418 3.682 9.814
174 HD2 PRO 21 HD2 PRO 21 3.753 2.454 7.452
175 HD3 PRO 21 HD1 PRO 21 2.143 2.910 8.041
176 H LYS 22 HN LYS 22 5.111 4.671 5.895
177 HA LYS 22 HA LYS 22 6.805 7.000 6.081
178 HB2 LYS 22 HB2 LYS 22 7.205 4.380 4.639
179 HB3 LYS 22 HB1 LYS 22 8.427 5.628 4.823
180 HG2 LYS 22 HG2 LYS 22 7.105 4.305 7.157
181 HG3 LYS 22 HG1 LYS 22 8.562 3.661 6.396
182 HD2 LYS 22 HD2 LYS 22 9.599 5.943 6.765
183 HD3 LYS 22 HD1 LYS 22 8.209 6.307 7.789
184 HE2 LYS 22 HE2 LYS 22 8.769 4.570 9.310
185 HE3 LYS 22 HE1 LYS 22 9.977 3.910 8.211
186 HZ1 LYS 22 HZ1 LYS 22 10.116 6.487 9.670
187 HZ2 LYS 22 HZ2 LYS 22 11.225 6.014 8.481
188 HZ3 LYS 22 HZ3 LYS 22 11.084 5.121 9.915
189 H CYS 23 HN CYS 23 5.645 5.050 3.340
190 HA CYS 23 HA CYS 23 6.289 7.266 1.564
191 HB2 CYS 23 HB2 CYS 23 5.890 5.637 -0.255
192 HB3 CYS 23 HB1 CYS 23 7.093 5.076 0.898
193 H GLY 24 HN GLY 24 3.553 5.450 2.738
194 HA2 GLY 24 HA2 GLY 24 1.433 6.500 2.970
195 HA3 GLY 24 HA1 GLY 24 1.794 7.485 1.556
196 H VAL 25 HN VAL 25 2.615 4.168 1.416
197 HA VAL 25 HA VAL 25 0.734 3.804 -0.742
198 HB VAL 25 HB VAL 25 3.183 2.995 -0.688
199 HG11 VAL 25 HG11 VAL 25 3.376 0.607 0.084
200 HG12 VAL 25 HG12 VAL 25 1.876 0.864 0.982
201 HG13 VAL 25 HG13 VAL 25 3.307 1.830 1.348
202 HG21 VAL 25 HG21 VAL 25 0.984 1.135 -1.576
203 HG22 VAL 25 HG22 VAL 25 2.660 1.070 -2.120
204 HG23 VAL 25 HG23 VAL 25 1.664 2.475 -2.500
205 H ARG 26 HN ARG 26 -0.630 1.954 -0.880
206 HA ARG 26 HA ARG 26 -1.678 1.049 1.713
207 HB2 ARG 26 HB2 ARG 26 -3.039 1.646 -0.907
208 HB3 ARG 26 HB1 ARG 26 -3.788 0.590 0.279
209 HG2 ARG 26 HG2 ARG 26 -2.923 3.403 0.872
210 HG3 ARG 26 HG1 ARG 26 -4.547 2.967 0.336
211 HD2 ARG 26 HD2 ARG 26 -4.650 1.392 2.294
212 HD3 ARG 26 HD1 ARG 26 -3.145 2.113 2.861
213 HE ARG 26 HE ARG 26 -4.637 4.284 2.616
214 HH11 ARG 26 HH11 ARG 26 -5.503 1.151 3.925
215 HH12 ARG 26 HH12 ARG 26 -6.631 1.801 5.072
216 HH21 ARG 26 HH21 ARG 26 -6.142 5.140 4.109
217 HH22 ARG 26 HH22 ARG 26 -7.010 4.071 5.167
218 H TYR 27 HN TYR 27 -1.575 -1.083 2.094
219 HA TYR 27 HA TYR 27 -1.404 -2.879 -0.219
220 HB2 TYR 27 HB2 TYR 27 0.004 -4.309 1.598
221 HB3 TYR 27 HB1 TYR 27 0.726 -3.304 0.358
222 HD1 TYR 27 HD1 TYR 27 -0.765 -2.681 3.719
223 HD2 TYR 27 HD2 TYR 27 2.556 -2.152 1.132
224 HE1 TYR 27 HE1 TYR 27 0.383 -1.387 5.459
225 HE2 TYR 27 HE2 TYR 27 3.717 -0.868 2.874
226 HH TYR 27 HH TYR 27 2.571 -0.753 6.113
227 H CYS 28 HN CYS 28 -2.171 -4.941 0.069
228 HA CYS 28 HA CYS 28 -4.594 -5.017 1.519
229 HB2 CYS 28 HB2 CYS 28 -4.851 -7.256 0.516
230 HB3 CYS 28 HB1 CYS 28 -4.394 -6.050 -0.676
231 H SER 29 HN SER 29 -1.380 -6.053 2.236
232 HA SER 29 HA SER 29 -1.989 -6.785 4.875
233 HB2 SER 29 HB2 SER 29 -1.596 -9.228 4.740
234 HB3 SER 29 HB1 SER 29 -3.037 -8.751 3.846
235 HG SER 29 HG SER 29 -2.103 -9.816 2.284
236 H LEU 30 HN LEU 30 -0.044 -8.508 5.567
237 HA LEU 30 HA LEU 30 2.350 -7.048 5.302
238 HB2 LEU 30 HB2 LEU 30 1.682 -9.758 6.371
239 HB3 LEU 30 HB1 LEU 30 3.353 -9.257 6.222
240 HG LEU 30 HG LEU 30 1.251 -7.813 7.846
241 HD11 LEU 30 HD11 LEU 30 3.533 -9.574 8.727
242 HD12 LEU 30 HD12 LEU 30 1.823 -10.003 8.778
243 HD13 LEU 30 HD13 LEU 30 2.434 -8.688 9.781
244 HD21 LEU 30 HD21 LEU 30 3.138 -6.550 8.739
245 HD22 LEU 30 HD22 LEU 30 3.017 -6.336 6.995
246 HD23 LEU 30 HD23 LEU 30 4.239 -7.413 7.666
247 H LYS 31 HN LYS 31 0.890 -9.413 3.305
248 HA LYS 31 HA LYS 31 3.136 -10.652 2.179
249 HB2 LYS 31 HB2 LYS 31 0.547 -9.998 0.758
250 HB3 LYS 31 HB1 LYS 31 1.690 -11.262 0.329
251 HG2 LYS 31 HG2 LYS 31 0.077 -11.168 2.869
252 HG3 LYS 31 HG1 LYS 31 -0.307 -12.138 1.448
253 HD2 LYS 31 HD2 LYS 31 1.765 -13.382 1.714
254 HD3 LYS 31 HD1 LYS 31 2.214 -12.372 3.091
255 HE2 LYS 31 HE2 LYS 31 0.263 -13.168 4.321
256 HE3 LYS 31 HE1 LYS 31 -0.215 -14.156 2.943
257 HZ1 LYS 31 HZ1 LYS 31 1.809 -15.436 3.196
258 HZ2 LYS 31 HZ2 LYS 31 0.926 -15.452 4.635
259 HZ3 LYS 31 HZ3 LYS 31 2.293 -14.472 4.497
260 H CYS 32 HN CYS 32 1.411 -7.708 1.280
261 HA CYS 32 HA CYS 32 3.418 -7.094 -0.741
262 HB2 CYS 32 HB2 CYS 32 0.827 -5.728 0.009
263 HB3 CYS 32 HB1 CYS 32 1.913 -5.158 -1.254
264 H TYR 33 HN TYR 33 2.527 -6.240 2.484
265 HA TYR 33 HA TYR 33 3.768 -3.744 2.754
266 HB2 TYR 33 HB2 TYR 33 2.312 -4.979 4.466
267 HB3 TYR 33 HB1 TYR 33 3.756 -5.892 4.891
268 HD1 TYR 33 HD1 TYR 33 5.287 -3.023 4.223
269 HD2 TYR 33 HD2 TYR 33 2.378 -4.452 6.967
270 HE1 TYR 33 HE1 TYR 33 5.898 -1.228 5.791
271 HE2 TYR 33 HE2 TYR 33 2.998 -2.686 8.559
272 HH TYR 33 HH TYR 33 4.941 -1.234 9.038
273 H LYS 34 HN LYS 34 5.070 -6.960 3.556
274 HA LYS 34 HA LYS 34 7.742 -5.833 3.723
275 HB2 LYS 34 HB2 LYS 34 6.744 -8.625 4.294
276 HB3 LYS 34 HB1 LYS 34 8.385 -8.058 4.574
277 HG2 LYS 34 HG2 LYS 34 7.427 -6.331 6.113
278 HG3 LYS 34 HG1 LYS 34 5.871 -7.144 5.947
279 HD2 LYS 34 HD2 LYS 34 8.409 -8.429 6.946
280 HD3 LYS 34 HD1 LYS 34 7.108 -7.828 7.970
281 HE2 LYS 34 HE2 LYS 34 5.563 -9.417 6.917
282 HE3 LYS 34 HE1 LYS 34 6.881 -10.025 5.916
283 HZ1 LYS 34 HZ1 LYS 34 6.747 -10.144 8.880
284 HZ2 LYS 34 HZ2 LYS 34 8.044 -10.683 7.942
285 HZ3 LYS 34 HZ3 LYS 34 6.539 -11.445 7.822
286 H ASP 35 HN ASP 35 6.762 -5.703 1.194
287 HA ASP 35 HA ASP 35 8.334 -7.728 -0.236
288 HB2 ASP 35 HB2 ASP 35 6.015 -7.581 -1.016
289 HB3 ASP 35 HB1 ASP 35 6.182 -5.844 -1.244
290 H ALA 36 HN ALA 36 10.008 -7.032 -1.555
291 HA ALA 36 HA ALA 36 10.687 -4.175 -1.312
292 HB1 ALA 36 HB1 ALA 36 12.131 -5.581 0.085
293 HB2 ALA 36 HB2 ALA 36 13.036 -4.795 -1.209
294 HB3 ALA 36 HB3 ALA 36 12.607 -6.499 -1.342
295 H ALA 37 HN ALA 37 9.299 -5.785 -3.431
296 HA ALA 37 HA ALA 37 11.146 -5.241 -5.663
297 HB1 ALA 37 HB1 ALA 37 10.455 -7.566 -5.548
298 HB2 ALA 37 HB2 ALA 37 9.747 -6.796 -6.968
299 HB3 ALA 37 HB3 ALA 37 8.760 -7.082 -5.534
300 H LYS 38 HN LYS 38 7.819 -5.006 -4.560
301 HA LYS 38 HA LYS 38 7.280 -2.929 -6.570
302 HB2 LYS 38 HB2 LYS 38 5.357 -4.492 -4.846
303 HB3 LYS 38 HB1 LYS 38 4.923 -3.375 -6.134
304 HG2 LYS 38 HG2 LYS 38 5.820 -4.819 -7.797
305 HG3 LYS 38 HG1 LYS 38 6.557 -5.860 -6.578
306 HD2 LYS 38 HD2 LYS 38 4.300 -6.412 -5.749
307 HD3 LYS 38 HD1 LYS 38 3.609 -5.457 -7.061
308 HE2 LYS 38 HE2 LYS 38 4.653 -6.916 -8.700
309 HE3 LYS 38 HE1 LYS 38 5.419 -7.842 -7.415
310 HZ1 LYS 38 HZ1 LYS 38 2.493 -7.599 -7.824
311 HZ2 LYS 38 HZ2 LYS 38 3.254 -8.533 -6.644
312 HZ3 LYS 38 HZ3 LYS 38 3.428 -8.928 -8.276
313 H HIS 39 HN HIS 39 7.321 -3.658 -3.149
314 HA HIS 39 HA HIS 39 6.549 -0.918 -2.472
315 HB2 HIS 39 HB2 HIS 39 5.575 -2.860 -1.203
316 HB3 HIS 39 HB1 HIS 39 7.190 -3.221 -0.608
317 HD1 HIS 39 HD1 HIS 39 7.136 -2.552 1.818
318 HD2 HIS 39 HD2 HIS 39 5.361 0.262 -0.667
319 HE1 HIS 39 HE1 HIS 39 6.598 -0.550 3.272
320 H VAL 40 HN VAL 40 8.281 0.406 -2.849
321 HA VAL 40 HA VAL 40 10.789 -0.336 -1.508
322 HB VAL 40 HB VAL 40 10.653 1.146 -4.138
323 HG11 VAL 40 HG11 VAL 40 12.994 -0.028 -2.640
324 HG12 VAL 40 HG12 VAL 40 12.610 1.687 -2.786
325 HG13 VAL 40 HG13 VAL 40 13.067 0.760 -4.216
326 HG21 VAL 40 HG21 VAL 40 11.512 -0.892 -5.183
327 HG22 VAL 40 HG22 VAL 40 9.932 -1.167 -4.450
328 HG23 VAL 40 HG23 VAL 40 11.390 -1.737 -3.640
329 H HIS 41 HN HIS 41 11.999 1.269 -0.609
330 HA HIS 41 HA HIS 41 10.503 3.744 -0.144
331 HB2 HIS 41 HB2 HIS 41 11.930 1.894 1.673
332 HB3 HIS 41 HB1 HIS 41 12.083 3.616 2.022
333 HD1 HIS 41 HD1 HIS 41 10.474 1.685 3.909
334 HD2 HIS 41 HD2 HIS 41 8.845 3.968 0.870
335 HE1 HIS 41 HE1 HIS 41 8.087 2.198 4.594
336 H LYS 42 HN LYS 42 11.846 5.596 0.535
337 HA LYS 42 HA LYS 42 14.457 5.623 -0.820
338 HB2 LYS 42 HB2 LYS 42 12.521 6.626 -2.166
339 HB3 LYS 42 HB1 LYS 42 12.476 7.898 -0.956
340 HG2 LYS 42 HG2 LYS 42 14.777 8.498 -1.495
341 HG3 LYS 42 HG1 LYS 42 14.828 7.215 -2.708
342 HD2 LYS 42 HD2 LYS 42 13.018 8.304 -3.938
343 HD3 LYS 42 HD1 LYS 42 12.951 9.578 -2.721
344 HE2 LYS 42 HE2 LYS 42 15.314 8.935 -4.477
345 HE3 LYS 42 HE1 LYS 42 14.199 10.281 -4.708
346 HZ1 LYS 42 HZ1 LYS 42 14.898 11.147 -2.544
347 HZ2 LYS 42 HZ2 LYS 42 16.196 11.021 -3.617
348 HZ3 LYS 42 HZ3 LYS 42 16.007 9.879 -2.385
349 H GLU 43 HN GLU 43 13.237 5.603 2.011
350 HA GLU 43 HA GLU 43 14.030 8.047 3.239
351 HB2 GLU 43 HB2 GLU 43 12.325 6.546 4.205
352 HB3 GLU 43 HB1 GLU 43 13.550 5.313 4.449
353 HG2 GLU 43 HG2 GLU 43 14.690 6.708 6.055
354 HG3 GLU 43 HG1 GLU 43 13.558 8.026 5.752
355 H SER 44 HN SER 44 16.052 8.693 3.484
356 HA SER 44 HA SER 44 18.242 6.894 3.049
357 HB2 SER 44 HB2 SER 44 18.199 9.830 3.773
358 HB3 SER 44 HB1 SER 44 19.641 8.921 3.318
359 HG SER 44 HG SER 44 17.654 9.960 1.748
360 H GLU 45 HN GLU 45 17.941 5.475 4.836
361 HA GLU 45 HA GLU 45 18.275 6.368 7.522
362 HB2 GLU 45 HB2 GLU 45 18.713 3.611 6.357
363 HB3 GLU 45 HB1 GLU 45 18.513 3.997 8.062
364 HG2 GLU 45 HG2 GLU 45 16.241 4.811 7.585
365 HG3 GLU 45 HG1 GLU 45 16.450 4.346 5.899
366 H GLN 46 HN GLN 46 20.395 5.457 4.939
367 HA GLN 46 HA GLN 46 22.701 5.982 6.688
368 HB2 GLN 46 HB2 GLN 46 22.718 3.651 6.018
369 HB3 GLN 46 HB1 GLN 46 22.498 4.096 4.332
370 HG2 GLN 46 HG2 GLN 46 24.797 3.434 4.816
371 HG3 GLN 46 HG1 GLN 46 24.695 5.107 4.280
372 HE21 GLN 46 HE21 GLN 46 26.668 5.607 5.205
373 HE22 GLN 46 HE22 GLN 46 26.871 5.772 6.915
Start of MODEL 3
1 H1 GLY -2 HT1 GLY -2 -9.800 -0.346 10.057
2 H2 GLY -2 HT2 GLY -2 -8.283 0.397 9.984
3 H3 GLY -2 HT3 GLY -2 -8.405 -1.286 9.876
4 HA2 GLY -2 HA1 GLY -2 -7.998 -0.363 7.702
5 HA3 GLY -2 HA2 GLY -2 -9.595 -1.093 7.783
6 HA PRO -1 HA PRO -1 -10.170 3.167 6.132
7 HB2 PRO -1 HB2 PRO -1 -11.957 2.034 4.174
8 HB3 PRO -1 HB1 PRO -1 -10.382 2.782 3.917
9 HG2 PRO -1 HG2 PRO -1 -10.888 0.120 3.530
10 HG3 PRO -1 HG1 PRO -1 -9.290 0.778 3.919
11 HD2 PRO -1 HD2 PRO -1 -11.292 -0.533 5.722
12 HD3 PRO -1 HD1 PRO -1 -9.524 -0.714 5.678
13 H HIS 0 HN HIS 0 -11.816 1.409 8.105
14 HA HIS 0 HA HIS 0 -13.622 1.768 9.411
15 HB2 HIS 0 HB2 HIS 0 -14.020 4.211 7.685
16 HB3 HIS 0 HB1 HIS 0 -15.043 3.812 9.061
17 HD1 HIS 0 HD1 HIS 0 -12.207 5.790 8.223
18 HD2 HIS 0 HD2 HIS 0 -13.326 3.544 11.536
19 HE1 HIS 0 HE1 HIS 0 -10.821 6.662 10.126
20 HE2 HIS 0 HE2 HIS 0 -11.638 5.405 12.148
21 H MET 1 HN MET 1 -14.833 2.839 6.224
22 HA MET 1 HA MET 1 -16.783 0.639 6.341
23 HB2 MET 1 HB2 MET 1 -17.832 2.726 7.151
24 HB3 MET 1 HB1 MET 1 -17.408 3.510 5.637
25 HG2 MET 1 HG2 MET 1 -18.856 1.998 4.418
26 HG3 MET 1 HG1 MET 1 -19.241 1.139 5.908
27 HE1 MET 1 HE1 MET 1 -18.767 5.007 5.531
28 HE2 MET 1 HE2 MET 1 -20.407 5.538 5.158
29 HE3 MET 1 HE3 MET 1 -19.510 4.561 3.997
30 H VAL 2 HN VAL 2 -17.427 -0.194 4.350
31 HA VAL 2 HA VAL 2 -15.558 0.239 2.206
32 HB VAL 2 HB VAL 2 -18.019 -1.516 2.165
33 HG11 VAL 2 HG11 VAL 2 -15.477 -1.589 0.544
34 HG12 VAL 2 HG12 VAL 2 -17.061 -1.075 -0.031
35 HG13 VAL 2 HG13 VAL 2 -16.796 -2.754 0.439
36 HG21 VAL 2 HG21 VAL 2 -15.210 -2.222 3.008
37 HG22 VAL 2 HG22 VAL 2 -16.546 -3.358 2.820
38 HG23 VAL 2 HG23 VAL 2 -16.615 -2.114 4.068
39 H SER 3 HN SER 3 -16.291 2.541 2.140
40 HA SER 3 HA SER 3 -18.032 2.797 -0.185
41 HB2 SER 3 HB2 SER 3 -19.420 3.314 1.857
42 HB3 SER 3 HB1 SER 3 -18.301 4.626 2.218
43 HG SER 3 HG SER 3 -19.891 5.580 1.079
44 H SER 4 HN SER 4 -16.608 3.533 -1.621
45 HA SER 4 HA SER 4 -14.818 4.549 -2.559
46 HB2 SER 4 HB2 SER 4 -15.235 6.596 -0.362
47 HB3 SER 4 HB1 SER 4 -14.181 6.810 -1.759
48 HG SER 4 HG SER 4 -17.000 6.603 -1.678
49 H ALA 5 HN ALA 5 -14.115 2.455 -1.317
50 HA ALA 5 HA ALA 5 -12.119 2.954 0.731
51 HB1 ALA 5 HB1 ALA 5 -13.071 0.367 -0.518
52 HB2 ALA 5 HB2 ALA 5 -13.619 1.032 1.020
53 HB3 ALA 5 HB3 ALA 5 -11.947 0.504 0.834
54 H VAL 6 HN VAL 6 -10.209 1.196 0.234
55 HA VAL 6 HA VAL 6 -9.142 2.159 -2.313
56 HB VAL 6 HB VAL 6 -8.432 3.399 -0.182
57 HG11 VAL 6 HG11 VAL 6 -6.699 0.959 0.116
58 HG12 VAL 6 HG12 VAL 6 -7.994 1.456 1.207
59 HG13 VAL 6 HG13 VAL 6 -6.552 2.459 1.034
60 HG21 VAL 6 HG21 VAL 6 -7.431 3.718 -2.329
61 HG22 VAL 6 HG22 VAL 6 -6.388 2.315 -2.087
62 HG23 VAL 6 HG23 VAL 6 -6.196 3.745 -1.071
63 H LYS 7 HN LYS 7 -7.725 0.826 -3.365
64 HA LYS 7 HA LYS 7 -7.740 -1.956 -2.450
65 HB2 LYS 7 HB2 LYS 7 -7.165 -0.825 -5.197
66 HB3 LYS 7 HB1 LYS 7 -7.239 -2.529 -4.778
67 HG2 LYS 7 HG2 LYS 7 -9.554 -0.651 -4.510
68 HG3 LYS 7 HG1 LYS 7 -9.264 -1.700 -5.902
69 HD2 LYS 7 HD2 LYS 7 -9.262 -3.646 -4.358
70 HD3 LYS 7 HD1 LYS 7 -9.715 -2.555 -3.048
71 HE2 LYS 7 HE2 LYS 7 -11.696 -3.575 -3.842
72 HE3 LYS 7 HE1 LYS 7 -11.698 -1.904 -4.393
73 HZ1 LYS 7 HZ1 LYS 7 -10.980 -2.641 -6.568
74 HZ2 LYS 7 HZ2 LYS 7 -12.405 -3.439 -6.133
75 HZ3 LYS 7 HZ3 LYS 7 -10.923 -4.247 -6.041
76 H CYS 8 HN CYS 8 -5.807 -3.230 -2.754
77 HA CYS 8 HA CYS 8 -3.525 -2.056 -1.630
78 HB2 CYS 8 HB2 CYS 8 -4.110 -4.482 -1.583
79 HB3 CYS 8 HB1 CYS 8 -3.677 -4.586 -3.276
80 H GLY 9 HN GLY 9 -2.201 -0.632 -2.556
81 HA2 GLY 9 HA2 GLY 9 -2.178 -0.238 -5.399
82 HA3 GLY 9 HA1 GLY 9 -1.232 0.646 -4.211
83 H ILE 10 HN ILE 10 -0.756 -2.610 -3.709
84 HA ILE 10 HA ILE 10 1.793 -2.436 -5.146
85 HB ILE 10 HB ILE 10 1.084 -4.262 -2.851
86 HG12 ILE 10 HG12 ILE 10 2.467 -1.578 -2.945
87 HG13 ILE 10 HG11 ILE 10 1.028 -2.018 -2.035
88 HG21 ILE 10 HG21 ILE 10 2.869 -5.120 -4.285
89 HG22 ILE 10 HG22 ILE 10 3.501 -4.635 -2.711
90 HG23 ILE 10 HG23 ILE 10 3.743 -3.596 -4.116
91 HD11 ILE 10 HD11 ILE 10 3.789 -3.074 -1.519
92 HD12 ILE 10 HD12 ILE 10 2.343 -3.406 -0.569
93 HD13 ILE 10 HD13 ILE 10 3.007 -1.774 -0.625
94 H CYS 11 HN CYS 11 -0.981 -4.570 -4.576
95 HA CYS 11 HA CYS 11 -0.001 -6.187 -6.832
96 HB2 CYS 11 HB2 CYS 11 -1.008 -8.157 -5.890
97 HB3 CYS 11 HB1 CYS 11 0.014 -7.405 -4.671
98 H ARG 12 HN ARG 12 -2.499 -4.252 -5.628
99 HA ARG 12 HA ARG 12 -4.540 -3.637 -6.349
100 HB2 ARG 12 HB2 ARG 12 -3.419 -4.678 -8.953
101 HB3 ARG 12 HB1 ARG 12 -4.959 -3.839 -8.832
102 HG2 ARG 12 HG2 ARG 12 -2.313 -2.678 -7.984
103 HG3 ARG 12 HG1 ARG 12 -3.093 -2.383 -9.540
104 HD2 ARG 12 HD2 ARG 12 -4.940 -1.308 -8.499
105 HD3 ARG 12 HD1 ARG 12 -4.409 -1.806 -6.896
106 HE ARG 12 HE ARG 12 -2.399 -0.253 -8.092
107 HH11 ARG 12 HH11 ARG 12 -5.634 0.087 -6.813
108 HH12 ARG 12 HH12 ARG 12 -5.386 1.714 -6.270
109 HH21 ARG 12 HH21 ARG 12 -2.073 1.895 -7.403
110 HH22 ARG 12 HH22 ARG 12 -3.369 2.754 -6.629
111 H GLY 13 HN GLY 13 -4.200 -6.282 -5.220
112 HA2 GLY 13 HA2 GLY 13 -6.030 -7.992 -6.691
113 HA3 GLY 13 HA1 GLY 13 -5.195 -8.392 -5.196
114 H VAL 14 HN VAL 14 -5.954 -7.095 -3.255
115 HA VAL 14 HA VAL 14 -8.866 -6.737 -3.395
116 HB VAL 14 HB VAL 14 -9.083 -7.575 -1.126
117 HG11 VAL 14 HG11 VAL 14 -9.229 -9.202 -2.927
118 HG12 VAL 14 HG12 VAL 14 -8.506 -9.926 -1.488
119 HG13 VAL 14 HG13 VAL 14 -7.485 -9.460 -2.849
120 HG21 VAL 14 HG21 VAL 14 -6.105 -8.036 -1.223
121 HG22 VAL 14 HG22 VAL 14 -7.185 -8.591 0.055
122 HG23 VAL 14 HG23 VAL 14 -6.952 -6.864 -0.213
123 H ASP 15 HN ASP 15 -9.414 -5.668 -1.013
124 HA ASP 15 HA ASP 15 -8.759 -2.996 -1.163
125 HB2 ASP 15 HB2 ASP 15 -9.632 -2.827 1.142
126 HB3 ASP 15 HB1 ASP 15 -10.668 -3.799 0.103
127 H GLY 16 HN GLY 16 -7.345 -1.652 -0.147
128 HA2 GLY 16 HA2 GLY 16 -4.946 -2.866 0.996
129 HA3 GLY 16 HA1 GLY 16 -5.144 -1.178 0.532
130 H LYS 17 HN LYS 17 -6.277 -3.580 2.838
131 HA LYS 17 HA LYS 17 -7.572 -1.853 4.598
132 HB2 LYS 17 HB2 LYS 17 -7.126 -3.765 6.268
133 HB3 LYS 17 HB1 LYS 17 -8.130 -4.073 4.859
134 HG2 LYS 17 HG2 LYS 17 -6.379 -5.203 3.746
135 HG3 LYS 17 HG1 LYS 17 -5.193 -4.683 4.941
136 HD2 LYS 17 HD2 LYS 17 -5.790 -6.988 5.330
137 HD3 LYS 17 HD1 LYS 17 -6.384 -5.979 6.650
138 HE2 LYS 17 HE2 LYS 17 -8.023 -7.683 5.904
139 HE3 LYS 17 HE1 LYS 17 -8.618 -6.032 5.760
140 HZ1 LYS 17 HZ1 LYS 17 -8.323 -6.068 3.434
141 HZ2 LYS 17 HZ2 LYS 17 -9.061 -7.545 3.819
142 HZ3 LYS 17 HZ3 LYS 17 -7.408 -7.493 3.488
143 H TYR 18 HN TYR 18 -4.175 -2.505 4.272
144 HA TYR 18 HA TYR 18 -3.731 -0.976 6.739
145 HB2 TYR 18 HB2 TYR 18 -2.172 -3.217 5.524
146 HB3 TYR 18 HB1 TYR 18 -1.358 -2.034 6.540
147 HD1 TYR 18 HD1 TYR 18 -4.230 -4.350 6.506
148 HD2 TYR 18 HD2 TYR 18 -1.397 -2.260 8.864
149 HE1 TYR 18 HE1 TYR 18 -5.018 -5.553 8.486
150 HE2 TYR 18 HE2 TYR 18 -2.176 -3.453 10.871
151 HH TYR 18 HH TYR 18 -4.176 -4.628 11.657
152 H LYS 19 HN LYS 19 -1.834 0.439 6.740
153 HA LYS 19 HA LYS 19 -1.245 1.522 4.075
154 HB2 LYS 19 HB2 LYS 19 -3.143 2.707 5.365
155 HB3 LYS 19 HB1 LYS 19 -1.881 3.282 6.439
156 HG2 LYS 19 HG2 LYS 19 -1.707 3.767 3.493
157 HG3 LYS 19 HG1 LYS 19 -2.701 4.789 4.519
158 HD2 LYS 19 HD2 LYS 19 -0.445 4.845 5.942
159 HD3 LYS 19 HD1 LYS 19 0.242 4.560 4.341
160 HE2 LYS 19 HE2 LYS 19 -1.514 6.845 5.216
161 HE3 LYS 19 HE1 LYS 19 0.166 6.920 4.697
162 HZ1 LYS 19 HZ1 LYS 19 -0.600 6.162 2.475
163 HZ2 LYS 19 HZ2 LYS 19 -1.223 7.666 2.926
164 HZ3 LYS 19 HZ3 LYS 19 -2.198 6.292 3.014
165 H CYS 20 HN CYS 20 0.748 2.530 3.871
166 HA CYS 20 HA CYS 20 2.660 1.877 5.995
167 HB2 CYS 20 HB2 CYS 20 3.117 1.070 3.684
168 HB3 CYS 20 HB1 CYS 20 3.212 2.743 3.149
169 HA PRO 21 HA PRO 21 2.261 6.242 7.008
170 HB2 PRO 21 HB2 PRO 21 3.929 6.154 9.173
171 HB3 PRO 21 HB1 PRO 21 2.230 5.667 9.223
172 HG2 PRO 21 HG2 PRO 21 4.682 3.967 8.949
173 HG3 PRO 21 HG1 PRO 21 3.243 3.701 9.950
174 HD2 PRO 21 HD2 PRO 21 3.592 2.423 7.610
175 HD3 PRO 21 HD1 PRO 21 1.985 2.936 8.161
176 H LYS 22 HN LYS 22 5.039 4.496 6.084
177 HA LYS 22 HA LYS 22 6.882 6.699 6.329
178 HB2 LYS 22 HB2 LYS 22 7.254 4.068 4.896
179 HB3 LYS 22 HB1 LYS 22 8.521 5.197 5.361
180 HG2 LYS 22 HG2 LYS 22 6.729 3.712 7.269
181 HG3 LYS 22 HG1 LYS 22 8.387 3.263 6.861
182 HD2 LYS 22 HD2 LYS 22 9.210 5.345 7.787
183 HD3 LYS 22 HD1 LYS 22 7.562 5.884 8.105
184 HE2 LYS 22 HE2 LYS 22 7.247 4.119 9.715
185 HE3 LYS 22 HE1 LYS 22 8.825 3.437 9.325
186 HZ1 LYS 22 HZ1 LYS 22 8.411 6.148 10.459
187 HZ2 LYS 22 HZ2 LYS 22 9.895 5.366 10.209
188 HZ3 LYS 22 HZ3 LYS 22 8.812 4.782 11.372
189 H CYS 23 HN CYS 23 5.679 4.825 3.523
190 HA CYS 23 HA CYS 23 6.479 7.057 1.813
191 HB2 CYS 23 HB2 CYS 23 6.083 5.510 -0.076
192 HB3 CYS 23 HB1 CYS 23 7.253 4.877 1.073
193 H GLY 24 HN GLY 24 3.673 5.266 2.867
194 HA2 GLY 24 HA2 GLY 24 1.588 6.465 3.065
195 HA3 GLY 24 HA1 GLY 24 1.985 7.292 1.565
196 H VAL 25 HN VAL 25 2.831 4.031 1.433
197 HA VAL 25 HA VAL 25 0.939 3.664 -0.682
198 HB VAL 25 HB VAL 25 3.350 2.778 -0.560
199 HG11 VAL 25 HG11 VAL 25 1.945 0.635 1.026
200 HG12 VAL 25 HG12 VAL 25 3.316 1.630 1.527
201 HG13 VAL 25 HG13 VAL 25 3.520 0.432 0.252
202 HG21 VAL 25 HG21 VAL 25 1.127 0.966 -1.486
203 HG22 VAL 25 HG22 VAL 25 2.811 0.872 -2.000
204 HG23 VAL 25 HG23 VAL 25 1.846 2.293 -2.398
205 H ARG 26 HN ARG 26 -0.515 1.901 -0.875
206 HA ARG 26 HA ARG 26 -1.681 1.016 1.673
207 HB2 ARG 26 HB2 ARG 26 -2.893 1.677 -0.995
208 HB3 ARG 26 HB1 ARG 26 -3.724 0.593 0.110
209 HG2 ARG 26 HG2 ARG 26 -2.845 3.365 0.860
210 HG3 ARG 26 HG1 ARG 26 -4.444 2.981 0.214
211 HD2 ARG 26 HD2 ARG 26 -4.796 1.416 2.076
212 HD3 ARG 26 HD1 ARG 26 -3.221 1.855 2.729
213 HE ARG 26 HE ARG 26 -4.435 4.236 2.591
214 HH11 ARG 26 HH11 ARG 26 -5.572 1.154 3.798
215 HH12 ARG 26 HH12 ARG 26 -6.519 1.859 5.074
216 HH21 ARG 26 HH21 ARG 26 -5.696 5.176 4.263
217 HH22 ARG 26 HH22 ARG 26 -6.602 4.148 5.330
218 H TYR 27 HN TYR 27 -1.647 -1.097 2.098
219 HA TYR 27 HA TYR 27 -1.389 -2.945 -0.163
220 HB2 TYR 27 HB2 TYR 27 -0.063 -4.350 1.719
221 HB3 TYR 27 HB1 TYR 27 0.721 -3.343 0.518
222 HD1 TYR 27 HD1 TYR 27 -0.969 -2.619 3.779
223 HD2 TYR 27 HD2 TYR 27 2.543 -2.295 1.409
224 HE1 TYR 27 HE1 TYR 27 0.123 -1.323 5.562
225 HE2 TYR 27 HE2 TYR 27 3.640 -1.016 3.196
226 HH TYR 27 HH TYR 27 2.301 -0.782 6.349
227 H CYS 28 HN CYS 28 -2.066 -5.071 0.223
228 HA CYS 28 HA CYS 28 -4.597 -5.086 1.541
229 HB2 CYS 28 HB2 CYS 28 -4.830 -7.326 0.524
230 HB3 CYS 28 HB1 CYS 28 -4.360 -6.110 -0.651
231 H SER 29 HN SER 29 -1.438 -6.030 2.411
232 HA SER 29 HA SER 29 -2.057 -6.731 5.015
233 HB2 SER 29 HB2 SER 29 -3.135 -8.720 3.818
234 HB3 SER 29 HB1 SER 29 -1.507 -9.220 3.376
235 HG SER 29 HG SER 29 -1.694 -10.236 5.233
236 H LEU 30 HN LEU 30 -0.119 -8.451 5.765
237 HA LEU 30 HA LEU 30 2.272 -6.982 5.473
238 HB2 LEU 30 HB2 LEU 30 1.642 -8.480 7.397
239 HB3 LEU 30 HB1 LEU 30 2.010 -9.849 6.370
240 HG LEU 30 HG LEU 30 4.357 -8.939 6.165
241 HD11 LEU 30 HD11 LEU 30 3.917 -6.645 6.810
242 HD12 LEU 30 HD12 LEU 30 5.085 -7.377 7.908
243 HD13 LEU 30 HD13 LEU 30 3.408 -7.173 8.413
244 HD21 LEU 30 HD21 LEU 30 5.040 -9.770 8.372
245 HD22 LEU 30 HD22 LEU 30 3.840 -10.815 7.614
246 HD23 LEU 30 HD23 LEU 30 3.360 -9.712 8.904
247 H LYS 31 HN LYS 31 0.816 -9.418 3.579
248 HA LYS 31 HA LYS 31 2.945 -10.694 2.345
249 HB2 LYS 31 HB2 LYS 31 0.347 -9.853 1.049
250 HB3 LYS 31 HB1 LYS 31 1.422 -11.125 0.485
251 HG2 LYS 31 HG2 LYS 31 -0.054 -11.138 3.110
252 HG3 LYS 31 HG1 LYS 31 -0.549 -12.002 1.653
253 HD2 LYS 31 HD2 LYS 31 1.550 -13.278 1.718
254 HD3 LYS 31 HD1 LYS 31 2.015 -12.426 3.191
255 HE2 LYS 31 HE2 LYS 31 1.089 -14.632 3.688
256 HE3 LYS 31 HE1 LYS 31 0.087 -13.348 4.354
257 HZ1 LYS 31 HZ1 LYS 31 -1.219 -15.104 3.302
258 HZ2 LYS 31 HZ2 LYS 31 -0.461 -14.800 1.823
259 HZ3 LYS 31 HZ3 LYS 31 -1.445 -13.617 2.528
260 H CYS 32 HN CYS 32 1.340 -7.675 1.374
261 HA CYS 32 HA CYS 32 3.417 -7.201 -0.615
262 HB2 CYS 32 HB2 CYS 32 0.847 -5.733 0.002
263 HB3 CYS 32 HB1 CYS 32 1.987 -5.247 -1.248
264 H TYR 33 HN TYR 33 2.564 -6.316 2.564
265 HA TYR 33 HA TYR 33 3.724 -3.801 2.861
266 HB2 TYR 33 HB2 TYR 33 2.375 -5.173 4.548
267 HB3 TYR 33 HB1 TYR 33 3.873 -6.014 4.909
268 HD1 TYR 33 HD1 TYR 33 5.239 -3.023 4.366
269 HD2 TYR 33 HD2 TYR 33 2.436 -4.766 7.047
270 HE1 TYR 33 HE1 TYR 33 5.755 -1.281 6.034
271 HE2 TYR 33 HE2 TYR 33 2.958 -3.053 8.723
272 HH TYR 33 HH TYR 33 4.802 -0.254 7.987
273 H LYS 34 HN LYS 34 5.209 -6.939 3.678
274 HA LYS 34 HA LYS 34 7.836 -5.733 3.625
275 HB2 LYS 34 HB2 LYS 34 6.916 -8.540 4.233
276 HB3 LYS 34 HB1 LYS 34 8.597 -8.027 4.280
277 HG2 LYS 34 HG2 LYS 34 7.937 -6.312 5.972
278 HG3 LYS 34 HG1 LYS 34 6.341 -7.061 6.010
279 HD2 LYS 34 HD2 LYS 34 7.210 -9.102 6.837
280 HD3 LYS 34 HD1 LYS 34 8.872 -8.613 6.505
281 HE2 LYS 34 HE2 LYS 34 7.044 -7.320 8.527
282 HE3 LYS 34 HE1 LYS 34 8.303 -8.496 8.900
283 HZ1 LYS 34 HZ1 LYS 34 9.935 -6.941 7.974
284 HZ2 LYS 34 HZ2 LYS 34 9.106 -6.276 9.285
285 HZ3 LYS 34 HZ3 LYS 34 8.711 -5.805 7.713
286 H ASP 35 HN ASP 35 6.919 -5.422 1.188
287 HA ASP 35 HA ASP 35 8.267 -7.472 -0.419
288 HB2 ASP 35 HB2 ASP 35 5.951 -7.116 -1.093
289 HB3 ASP 35 HB1 ASP 35 6.221 -5.381 -1.206
290 H ALA 36 HN ALA 36 9.887 -6.839 -1.816
291 HA ALA 36 HA ALA 36 10.736 -4.027 -1.666
292 HB1 ALA 36 HB1 ALA 36 13.064 -4.740 -1.540
293 HB2 ALA 36 HB2 ALA 36 12.557 -6.429 -1.525
294 HB3 ALA 36 HB3 ALA 36 12.139 -5.371 -0.178
295 H ALA 37 HN ALA 37 9.216 -5.569 -3.661
296 HA ALA 37 HA ALA 37 11.070 -5.330 -5.949
297 HB1 ALA 37 HB1 ALA 37 9.613 -6.900 -7.139
298 HB2 ALA 37 HB2 ALA 37 8.580 -7.023 -5.716
299 HB3 ALA 37 HB3 ALA 37 10.241 -7.611 -5.653
300 H LYS 38 HN LYS 38 7.789 -4.793 -4.784
301 HA LYS 38 HA LYS 38 7.456 -2.689 -6.816
302 HB2 LYS 38 HB2 LYS 38 5.408 -4.322 -5.326
303 HB3 LYS 38 HB1 LYS 38 5.005 -2.913 -6.298
304 HG2 LYS 38 HG2 LYS 38 5.947 -4.019 -8.272
305 HG3 LYS 38 HG1 LYS 38 6.309 -5.441 -7.289
306 HD2 LYS 38 HD2 LYS 38 3.967 -5.766 -6.830
307 HD3 LYS 38 HD1 LYS 38 3.555 -4.277 -7.678
308 HE2 LYS 38 HE2 LYS 38 4.771 -6.750 -8.904
309 HE3 LYS 38 HE1 LYS 38 3.100 -6.217 -9.073
310 HZ1 LYS 38 HZ1 LYS 38 5.511 -4.797 -10.061
311 HZ2 LYS 38 HZ2 LYS 38 3.935 -4.187 -10.146
312 HZ3 LYS 38 HZ3 LYS 38 4.347 -5.584 -11.005
313 H HIS 39 HN HIS 39 7.201 -3.503 -3.390
314 HA HIS 39 HA HIS 39 6.420 -0.818 -2.662
315 HB2 HIS 39 HB2 HIS 39 5.726 -2.808 -1.330
316 HB3 HIS 39 HB1 HIS 39 7.409 -3.068 -0.891
317 HD1 HIS 39 HD1 HIS 39 6.838 -2.711 1.646
318 HD2 HIS 39 HD2 HIS 39 6.039 0.556 -0.799
319 HE1 HIS 39 HE1 HIS 39 6.465 -0.740 3.181
320 H VAL 40 HN VAL 40 7.863 0.748 -2.964
321 HA VAL 40 HA VAL 40 10.696 0.150 -2.474
322 HB VAL 40 HB VAL 40 9.555 2.382 -4.158
323 HG11 VAL 40 HG11 VAL 40 11.765 2.883 -3.283
324 HG12 VAL 40 HG12 VAL 40 11.844 2.580 -5.020
325 HG13 VAL 40 HG13 VAL 40 12.370 1.339 -3.883
326 HG21 VAL 40 HG21 VAL 40 10.245 1.060 -6.098
327 HG22 VAL 40 HG22 VAL 40 9.026 0.217 -5.142
328 HG23 VAL 40 HG23 VAL 40 10.720 -0.259 -5.029
329 H HIS 41 HN HIS 41 11.902 1.329 -1.164
330 HA HIS 41 HA HIS 41 10.687 3.641 0.144
331 HB2 HIS 41 HB2 HIS 41 11.627 1.143 1.391
332 HB3 HIS 41 HB1 HIS 41 12.159 2.626 2.178
333 HD1 HIS 41 HD1 HIS 41 10.306 1.033 3.862
334 HD2 HIS 41 HD2 HIS 41 8.925 3.663 0.972
335 HE1 HIS 41 HE1 HIS 41 8.060 1.876 4.677
336 H LYS 42 HN LYS 42 11.837 5.313 -0.354
337 HA LYS 42 HA LYS 42 14.757 5.166 -0.021
338 HB2 LYS 42 HB2 LYS 42 13.188 6.866 -1.973
339 HB3 LYS 42 HB1 LYS 42 14.909 7.040 -1.668
340 HG2 LYS 42 HG2 LYS 42 15.244 4.725 -2.432
341 HG3 LYS 42 HG1 LYS 42 13.527 4.632 -2.822
342 HD2 LYS 42 HD2 LYS 42 13.800 6.487 -4.400
343 HD3 LYS 42 HD1 LYS 42 15.520 6.557 -4.014
344 HE2 LYS 42 HE2 LYS 42 14.056 4.230 -5.252
345 HE3 LYS 42 HE1 LYS 42 15.156 5.332 -6.081
346 HZ1 LYS 42 HZ1 LYS 42 16.944 4.555 -4.631
347 HZ2 LYS 42 HZ2 LYS 42 16.272 3.281 -5.517
348 HZ3 LYS 42 HZ3 LYS 42 15.884 3.470 -3.882
349 H GLU 43 HN GLU 43 15.702 6.838 1.122
350 HA GLU 43 HA GLU 43 15.856 8.361 2.798
351 HB2 GLU 43 HB2 GLU 43 13.333 9.496 1.565
352 HB3 GLU 43 HB1 GLU 43 14.360 10.319 2.729
353 HG2 GLU 43 HG2 GLU 43 15.197 9.454 -0.028
354 HG3 GLU 43 HG1 GLU 43 14.736 11.090 0.439
355 H SER 44 HN SER 44 14.053 9.582 4.443
356 HA SER 44 HA SER 44 12.687 9.328 6.225
357 HB2 SER 44 HB2 SER 44 11.488 7.012 4.690
358 HB3 SER 44 HB1 SER 44 10.747 7.870 6.042
359 HG SER 44 HG SER 44 11.495 9.624 4.149
360 H GLU 45 HN GLU 45 13.038 5.914 5.273
361 HA GLU 45 HA GLU 45 13.894 5.284 7.993
362 HB2 GLU 45 HB2 GLU 45 12.967 3.599 5.674
363 HB3 GLU 45 HB1 GLU 45 13.660 2.895 7.130
364 HG2 GLU 45 HG2 GLU 45 11.192 4.611 6.989
365 HG3 GLU 45 HG1 GLU 45 11.241 2.861 7.223
366 H GLN 46 HN GLN 46 15.127 5.696 4.847
367 HA GLN 46 HA GLN 46 17.620 4.313 5.534
368 HB2 GLN 46 HB2 GLN 46 16.622 5.359 2.876
369 HB3 GLN 46 HB1 GLN 46 18.170 4.563 3.127
370 HG2 GLN 46 HG2 GLN 46 16.989 2.535 3.852
371 HG3 GLN 46 HG1 GLN 46 15.452 3.338 3.528
372 HE21 GLN 46 HE21 GLN 46 16.624 0.926 2.353
373 HE22 GLN 46 HE22 GLN 46 16.674 1.208 0.649
Start of MODEL 4
1 H1 GLY -2 HT1 GLY -2 -20.421 0.952 -6.206
2 H2 GLY -2 HT2 GLY -2 -21.577 1.104 -7.427
3 H3 GLY -2 HT3 GLY -2 -21.366 2.351 -6.307
4 HA2 GLY -2 HA1 GLY -2 -20.346 2.952 -8.391
5 HA3 GLY -2 HA2 GLY -2 -19.131 2.751 -7.136
6 HA PRO -1 HA PRO -1 -19.009 -0.823 -10.533
7 HB2 PRO -1 HB2 PRO -1 -18.861 1.056 -12.807
8 HB3 PRO -1 HB1 PRO -1 -19.748 -0.464 -12.659
9 HG2 PRO -1 HG2 PRO -1 -21.012 1.896 -12.639
10 HG3 PRO -1 HG1 PRO -1 -21.563 0.538 -11.642
11 HD2 PRO -1 HD2 PRO -1 -20.003 2.965 -10.848
12 HD3 PRO -1 HD1 PRO -1 -21.317 2.139 -9.988
13 H HIS 0 HN HIS 0 -17.559 2.386 -10.725
14 HA HIS 0 HA HIS 0 -14.944 1.111 -11.206
15 HB2 HIS 0 HB2 HIS 0 -15.837 3.907 -11.954
16 HB3 HIS 0 HB1 HIS 0 -14.213 3.271 -12.182
17 HD1 HIS 0 HD1 HIS 0 -16.539 4.202 -14.352
18 HD2 HIS 0 HD2 HIS 0 -15.033 0.409 -13.576
19 HE1 HIS 0 HE1 HIS 0 -16.995 2.858 -16.425
20 HE2 HIS 0 HE2 HIS 0 -16.204 0.531 -15.877
21 H MET 1 HN MET 1 -15.761 1.041 -8.710
22 HA MET 1 HA MET 1 -15.172 1.488 -6.578
23 HB2 MET 1 HB2 MET 1 -13.066 3.183 -7.920
24 HB3 MET 1 HB1 MET 1 -13.164 2.974 -6.177
25 HG2 MET 1 HG2 MET 1 -12.853 0.580 -6.428
26 HG3 MET 1 HG1 MET 1 -12.808 0.755 -8.180
27 HE1 MET 1 HE1 MET 1 -9.573 2.456 -5.351
28 HE2 MET 1 HE2 MET 1 -11.002 1.585 -4.795
29 HE3 MET 1 HE3 MET 1 -11.169 3.184 -5.518
30 H VAL 2 HN VAL 2 -15.010 3.322 -4.933
31 HA VAL 2 HA VAL 2 -16.812 5.497 -5.780
32 HB VAL 2 HB VAL 2 -17.806 5.457 -3.524
33 HG11 VAL 2 HG11 VAL 2 -18.906 4.248 -5.319
34 HG12 VAL 2 HG12 VAL 2 -19.103 3.387 -3.792
35 HG13 VAL 2 HG13 VAL 2 -17.931 2.819 -4.981
36 HG21 VAL 2 HG21 VAL 2 -17.400 3.545 -2.039
37 HG22 VAL 2 HG22 VAL 2 -15.941 4.503 -2.287
38 HG23 VAL 2 HG23 VAL 2 -16.142 2.971 -3.134
39 H SER 3 HN SER 3 -13.781 5.008 -5.120
40 HA SER 3 HA SER 3 -12.041 6.334 -4.557
41 HB2 SER 3 HB2 SER 3 -14.095 8.455 -3.908
42 HB3 SER 3 HB1 SER 3 -12.365 8.709 -4.139
43 HG SER 3 HG SER 3 -13.124 7.461 -6.285
44 H SER 4 HN SER 4 -14.687 6.088 -2.282
45 HA SER 4 HA SER 4 -13.289 6.967 0.012
46 HB2 SER 4 HB2 SER 4 -15.647 5.082 -0.147
47 HB3 SER 4 HB1 SER 4 -15.139 6.009 1.264
48 HG SER 4 HG SER 4 -15.382 7.745 -0.682
49 H ALA 5 HN ALA 5 -13.570 3.832 -1.543
50 HA ALA 5 HA ALA 5 -11.989 2.611 0.605
51 HB1 ALA 5 HB1 ALA 5 -13.437 1.329 -1.715
52 HB2 ALA 5 HB2 ALA 5 -13.967 1.342 -0.034
53 HB3 ALA 5 HB3 ALA 5 -12.509 0.460 -0.494
54 H VAL 6 HN VAL 6 -10.213 1.238 0.006
55 HA VAL 6 HA VAL 6 -8.813 2.328 -2.325
56 HB VAL 6 HB VAL 6 -8.210 3.384 -0.082
57 HG11 VAL 6 HG11 VAL 6 -6.828 0.737 0.310
58 HG12 VAL 6 HG12 VAL 6 -8.143 1.389 1.288
59 HG13 VAL 6 HG13 VAL 6 -6.567 2.184 1.285
60 HG21 VAL 6 HG21 VAL 6 -6.914 3.590 -2.119
61 HG22 VAL 6 HG22 VAL 6 -6.023 2.126 -1.704
62 HG23 VAL 6 HG23 VAL 6 -5.891 3.561 -0.687
63 H LYS 7 HN LYS 7 -7.360 0.958 -3.323
64 HA LYS 7 HA LYS 7 -7.631 -1.873 -2.580
65 HB2 LYS 7 HB2 LYS 7 -6.756 -0.660 -5.207
66 HB3 LYS 7 HB1 LYS 7 -6.985 -2.368 -4.884
67 HG2 LYS 7 HG2 LYS 7 -9.214 -0.383 -4.623
68 HG3 LYS 7 HG1 LYS 7 -8.816 -1.159 -6.155
69 HD2 LYS 7 HD2 LYS 7 -9.471 -2.637 -3.614
70 HD3 LYS 7 HD1 LYS 7 -10.637 -2.291 -4.890
71 HE2 LYS 7 HE2 LYS 7 -9.104 -3.510 -6.471
72 HE3 LYS 7 HE1 LYS 7 -8.163 -4.004 -5.066
73 HZ1 LYS 7 HZ1 LYS 7 -9.648 -5.754 -5.578
74 HZ2 LYS 7 HZ2 LYS 7 -10.973 -4.708 -5.688
75 HZ3 LYS 7 HZ3 LYS 7 -10.260 -5.004 -4.187
76 H CYS 8 HN CYS 8 -5.735 -3.234 -2.781
77 HA CYS 8 HA CYS 8 -3.396 -2.164 -1.643
78 HB2 CYS 8 HB2 CYS 8 -4.072 -4.555 -1.549
79 HB3 CYS 8 HB1 CYS 8 -3.709 -4.703 -3.258
80 H GLY 9 HN GLY 9 -1.995 -0.818 -2.605
81 HA2 GLY 9 HA2 GLY 9 -2.043 -0.468 -5.465
82 HA3 GLY 9 HA1 GLY 9 -1.054 0.421 -4.316
83 H ILE 10 HN ILE 10 -0.747 -2.907 -3.880
84 HA ILE 10 HA ILE 10 1.828 -2.806 -5.282
85 HB ILE 10 HB ILE 10 1.055 -4.489 -2.895
86 HG12 ILE 10 HG12 ILE 10 2.643 -1.935 -3.180
87 HG13 ILE 10 HG11 ILE 10 1.181 -2.191 -2.237
88 HG21 ILE 10 HG21 ILE 10 3.736 -4.095 -4.216
89 HG22 ILE 10 HG22 ILE 10 2.748 -5.551 -4.318
90 HG23 ILE 10 HG23 ILE 10 3.424 -5.051 -2.767
91 HD11 ILE 10 HD11 ILE 10 3.851 -3.435 -1.662
92 HD12 ILE 10 HD12 ILE 10 2.388 -3.586 -0.689
93 HD13 ILE 10 HD13 ILE 10 3.182 -2.021 -0.853
94 H CYS 11 HN CYS 11 -0.797 -5.060 -4.399
95 HA CYS 11 HA CYS 11 -0.016 -6.658 -6.740
96 HB2 CYS 11 HB2 CYS 11 -1.002 -8.579 -5.712
97 HB3 CYS 11 HB1 CYS 11 0.011 -7.792 -4.505
98 H ARG 12 HN ARG 12 -2.319 -4.594 -5.465
99 HA ARG 12 HA ARG 12 -4.301 -3.776 -6.115
100 HB2 ARG 12 HB2 ARG 12 -3.431 -4.807 -8.811
101 HB3 ARG 12 HB1 ARG 12 -4.672 -3.594 -8.523
102 HG2 ARG 12 HG2 ARG 12 -2.947 -2.170 -7.446
103 HG3 ARG 12 HG1 ARG 12 -1.734 -3.357 -7.926
104 HD2 ARG 12 HD2 ARG 12 -2.425 -3.035 -10.275
105 HD3 ARG 12 HD1 ARG 12 -3.521 -1.762 -9.744
106 HE ARG 12 HE ARG 12 -0.615 -1.631 -9.885
107 HH11 ARG 12 HH11 ARG 12 -3.601 -0.093 -8.868
108 HH12 ARG 12 HH12 ARG 12 -2.871 1.468 -8.658
109 HH21 ARG 12 HH21 ARG 12 0.343 0.425 -9.606
110 HH22 ARG 12 HH22 ARG 12 -0.633 1.765 -9.095
111 H GLY 13 HN GLY 13 -4.278 -6.444 -5.128
112 HA2 GLY 13 HA2 GLY 13 -6.291 -7.879 -6.645
113 HA3 GLY 13 HA1 GLY 13 -5.537 -8.413 -5.151
114 H VAL 14 HN VAL 14 -6.176 -7.112 -3.171
115 HA VAL 14 HA VAL 14 -9.049 -6.498 -3.349
116 HB VAL 14 HB VAL 14 -9.346 -7.297 -1.094
117 HG11 VAL 14 HG11 VAL 14 -7.760 -9.270 -2.725
118 HG12 VAL 14 HG12 VAL 14 -9.489 -8.963 -2.854
119 HG13 VAL 14 HG13 VAL 14 -8.827 -9.675 -1.383
120 HG21 VAL 14 HG21 VAL 14 -7.510 -8.354 0.164
121 HG22 VAL 14 HG22 VAL 14 -7.237 -6.634 -0.110
122 HG23 VAL 14 HG23 VAL 14 -6.377 -7.827 -1.080
123 H ASP 15 HN ASP 15 -9.508 -5.359 -0.949
124 HA ASP 15 HA ASP 15 -8.662 -2.732 -1.263
125 HB2 ASP 15 HB2 ASP 15 -9.676 -2.300 0.905
126 HB3 ASP 15 HB1 ASP 15 -10.695 -3.389 -0.027
127 H GLY 16 HN GLY 16 -7.194 -1.447 -0.236
128 HA2 GLY 16 HA2 GLY 16 -4.900 -2.793 0.951
129 HA3 GLY 16 HA1 GLY 16 -4.994 -1.099 0.485
130 H LYS 17 HN LYS 17 -6.456 -3.376 2.748
131 HA LYS 17 HA LYS 17 -7.446 -1.535 4.576
132 HB2 LYS 17 HB2 LYS 17 -7.155 -3.533 6.209
133 HB3 LYS 17 HB1 LYS 17 -8.269 -3.665 4.855
134 HG2 LYS 17 HG2 LYS 17 -6.727 -4.959 3.603
135 HG3 LYS 17 HG1 LYS 17 -5.438 -4.655 4.763
136 HD2 LYS 17 HD2 LYS 17 -6.298 -6.870 5.103
137 HD3 LYS 17 HD1 LYS 17 -6.751 -5.853 6.470
138 HE2 LYS 17 HE2 LYS 17 -8.579 -7.339 5.664
139 HE3 LYS 17 HE1 LYS 17 -8.985 -5.625 5.649
140 HZ1 LYS 17 HZ1 LYS 17 -8.027 -7.091 3.256
141 HZ2 LYS 17 HZ2 LYS 17 -8.705 -5.537 3.307
142 HZ3 LYS 17 HZ3 LYS 17 -9.662 -6.893 3.628
143 H TYR 18 HN TYR 18 -4.209 -2.814 4.247
144 HA TYR 18 HA TYR 18 -3.407 -1.453 6.711
145 HB2 TYR 18 HB2 TYR 18 -2.184 -3.626 5.049
146 HB3 TYR 18 HB1 TYR 18 -1.163 -2.655 6.096
147 HD1 TYR 18 HD1 TYR 18 -4.381 -4.531 6.272
148 HD2 TYR 18 HD2 TYR 18 -0.768 -3.443 8.221
149 HE1 TYR 18 HE1 TYR 18 -4.999 -5.953 8.176
150 HE2 TYR 18 HE2 TYR 18 -1.367 -4.861 10.138
151 HH TYR 18 HH TYR 18 -3.862 -7.144 10.035
152 H LYS 19 HN LYS 19 -1.658 0.048 6.698
153 HA LYS 19 HA LYS 19 -1.110 1.217 4.058
154 HB2 LYS 19 HB2 LYS 19 -2.993 2.387 5.305
155 HB3 LYS 19 HB1 LYS 19 -1.793 2.870 6.493
156 HG2 LYS 19 HG2 LYS 19 -1.307 3.511 3.627
157 HG3 LYS 19 HG1 LYS 19 -2.488 4.458 4.524
158 HD2 LYS 19 HD2 LYS 19 0.222 4.006 5.688
159 HD3 LYS 19 HD1 LYS 19 0.020 5.202 4.409
160 HE2 LYS 19 HE2 LYS 19 -0.142 6.276 6.569
161 HE3 LYS 19 HE1 LYS 19 -1.703 6.328 5.759
162 HZ1 LYS 19 HZ1 LYS 19 -2.447 4.498 7.141
163 HZ2 LYS 19 HZ2 LYS 19 -1.900 5.772 8.105
164 HZ3 LYS 19 HZ3 LYS 19 -0.934 4.408 7.889
165 H CYS 20 HN CYS 20 0.864 2.205 3.818
166 HA CYS 20 HA CYS 20 2.869 1.580 5.861
167 HB2 CYS 20 HB2 CYS 20 3.188 0.914 3.456
168 HB3 CYS 20 HB1 CYS 20 3.271 2.620 3.046
169 HA PRO 21 HA PRO 21 2.218 5.925 6.989
170 HB2 PRO 21 HB2 PRO 21 3.892 5.879 9.153
171 HB3 PRO 21 HB1 PRO 21 2.217 5.319 9.194
172 HG2 PRO 21 HG2 PRO 21 4.739 3.733 8.907
173 HG3 PRO 21 HG1 PRO 21 3.305 3.388 9.892
174 HD2 PRO 21 HD2 PRO 21 3.733 2.165 7.538
175 HD3 PRO 21 HD1 PRO 21 2.098 2.595 8.080
176 H LYS 22 HN LYS 22 5.106 4.328 6.112
177 HA LYS 22 HA LYS 22 6.903 6.533 6.401
178 HB2 LYS 22 HB2 LYS 22 7.195 4.087 4.654
179 HB3 LYS 22 HB1 LYS 22 8.482 5.161 5.173
180 HG2 LYS 22 HG2 LYS 22 6.823 3.535 7.077
181 HG3 LYS 22 HG1 LYS 22 8.341 2.973 6.376
182 HD2 LYS 22 HD2 LYS 22 9.468 4.955 7.347
183 HD3 LYS 22 HD1 LYS 22 7.948 5.395 8.126
184 HE2 LYS 22 HE2 LYS 22 9.437 4.207 9.665
185 HE3 LYS 22 HE1 LYS 22 7.954 3.302 9.367
186 HZ1 LYS 22 HZ1 LYS 22 9.885 1.862 9.317
187 HZ2 LYS 22 HZ2 LYS 22 10.586 2.786 8.087
188 HZ3 LYS 22 HZ3 LYS 22 9.164 1.919 7.789
189 H CYS 23 HN CYS 23 5.577 4.909 3.513
190 HA CYS 23 HA CYS 23 6.255 7.268 1.930
191 HB2 CYS 23 HB2 CYS 23 5.874 5.792 -0.016
192 HB3 CYS 23 HB1 CYS 23 7.055 5.118 1.094
193 H GLY 24 HN GLY 24 3.548 5.274 2.923
194 HA2 GLY 24 HA2 GLY 24 1.416 6.331 3.298
195 HA3 GLY 24 HA1 GLY 24 1.733 7.361 1.908
196 H VAL 25 HN VAL 25 2.640 4.086 1.542
197 HA VAL 25 HA VAL 25 0.702 3.795 -0.567
198 HB VAL 25 HB VAL 25 3.145 2.971 -0.590
199 HG11 VAL 25 HG11 VAL 25 3.237 0.490 0.061
200 HG12 VAL 25 HG12 VAL 25 1.863 0.860 1.109
201 HG13 VAL 25 HG13 VAL 25 3.402 1.702 1.327
202 HG21 VAL 25 HG21 VAL 25 2.600 1.130 -2.102
203 HG22 VAL 25 HG22 VAL 25 1.560 2.525 -2.382
204 HG23 VAL 25 HG23 VAL 25 0.942 1.128 -1.502
205 H ARG 26 HN ARG 26 -0.686 1.960 -0.773
206 HA ARG 26 HA ARG 26 -1.699 0.977 1.806
207 HB2 ARG 26 HB2 ARG 26 -3.095 1.720 -0.753
208 HB3 ARG 26 HB1 ARG 26 -3.847 0.627 0.399
209 HG2 ARG 26 HG2 ARG 26 -2.884 3.377 1.131
210 HG3 ARG 26 HG1 ARG 26 -4.525 3.030 0.587
211 HD2 ARG 26 HD2 ARG 26 -4.700 1.363 2.438
212 HD3 ARG 26 HD1 ARG 26 -3.141 1.933 3.025
213 HE ARG 26 HE ARG 26 -4.466 4.212 2.989
214 HH11 ARG 26 HH11 ARG 26 -5.625 1.062 3.981
215 HH12 ARG 26 HH12 ARG 26 -6.671 1.700 5.214
216 HH21 ARG 26 HH21 ARG 26 -5.860 5.045 4.607
217 HH22 ARG 26 HH22 ARG 26 -6.790 3.951 5.582
218 H TYR 27 HN TYR 27 -1.505 -1.141 2.137
219 HA TYR 27 HA TYR 27 -1.443 -2.906 -0.211
220 HB2 TYR 27 HB2 TYR 27 -0.080 -4.398 1.578
221 HB3 TYR 27 HB1 TYR 27 0.677 -3.392 0.361
222 HD1 TYR 27 HD1 TYR 27 -0.816 -2.783 3.723
223 HD2 TYR 27 HD2 TYR 27 2.539 -2.310 1.167
224 HE1 TYR 27 HE1 TYR 27 0.363 -1.577 5.498
225 HE2 TYR 27 HE2 TYR 27 3.733 -1.111 2.950
226 HH TYR 27 HH TYR 27 2.588 -1.062 6.188
227 H CYS 28 HN CYS 28 -2.297 -4.946 0.046
228 HA CYS 28 HA CYS 28 -4.702 -4.979 1.498
229 HB2 CYS 28 HB2 CYS 28 -4.990 -7.236 0.589
230 HB3 CYS 28 HB1 CYS 28 -4.451 -6.120 -0.653
231 H SER 29 HN SER 29 -1.502 -6.174 2.217
232 HA SER 29 HA SER 29 -2.184 -6.797 4.897
233 HB2 SER 29 HB2 SER 29 -1.741 -9.137 3.024
234 HB3 SER 29 HB1 SER 29 -1.605 -9.256 4.775
235 HG SER 29 HG SER 29 -3.939 -8.100 3.813
236 H LEU 30 HN LEU 30 -0.247 -8.288 5.815
237 HA LEU 30 HA LEU 30 2.081 -6.730 5.624
238 HB2 LEU 30 HB2 LEU 30 1.400 -8.159 7.554
239 HB3 LEU 30 HB1 LEU 30 1.821 -9.573 6.611
240 HG LEU 30 HG LEU 30 4.176 -8.724 6.510
241 HD11 LEU 30 HD11 LEU 30 3.758 -6.373 6.899
242 HD12 LEU 30 HD12 LEU 30 4.826 -7.010 8.148
243 HD13 LEU 30 HD13 LEU 30 3.125 -6.725 8.506
244 HD21 LEU 30 HD21 LEU 30 3.023 -9.185 9.257
245 HD22 LEU 30 HD22 LEU 30 4.719 -9.362 8.806
246 HD23 LEU 30 HD23 LEU 30 3.504 -10.435 8.110
247 H LYS 31 HN LYS 31 1.009 -9.507 3.837
248 HA LYS 31 HA LYS 31 3.409 -10.501 2.855
249 HB2 LYS 31 HB2 LYS 31 0.739 -10.362 1.449
250 HB3 LYS 31 HB1 LYS 31 2.082 -11.392 0.977
251 HG2 LYS 31 HG2 LYS 31 0.518 -11.542 3.543
252 HG3 LYS 31 HG1 LYS 31 0.451 -12.678 2.193
253 HD2 LYS 31 HD2 LYS 31 2.851 -13.189 2.573
254 HD3 LYS 31 HD1 LYS 31 2.817 -12.135 3.987
255 HE2 LYS 31 HE2 LYS 31 1.075 -13.550 4.981
256 HE3 LYS 31 HE1 LYS 31 1.151 -14.615 3.581
257 HZ1 LYS 31 HZ1 LYS 31 3.475 -15.073 4.130
258 HZ2 LYS 31 HZ2 LYS 31 2.440 -15.509 5.392
259 HZ3 LYS 31 HZ3 LYS 31 3.353 -14.091 5.502
260 H CYS 32 HN CYS 32 1.388 -7.884 1.541
261 HA CYS 32 HA CYS 32 3.348 -7.348 -0.517
262 HB2 CYS 32 HB2 CYS 32 0.762 -5.969 0.211
263 HB3 CYS 32 HB1 CYS 32 1.807 -5.457 -1.113
264 H TYR 33 HN TYR 33 2.554 -6.230 2.656
265 HA TYR 33 HA TYR 33 3.820 -3.752 2.733
266 HB2 TYR 33 HB2 TYR 33 2.498 -4.852 4.598
267 HB3 TYR 33 HB1 TYR 33 3.914 -5.841 4.929
268 HD1 TYR 33 HD1 TYR 33 5.486 -3.018 4.049
269 HD2 TYR 33 HD2 TYR 33 2.874 -4.349 7.123
270 HE1 TYR 33 HE1 TYR 33 6.300 -1.212 5.510
271 HE2 TYR 33 HE2 TYR 33 3.711 -2.576 8.608
272 HH TYR 33 HH TYR 33 5.887 -1.189 8.786
273 H LYS 34 HN LYS 34 5.159 -6.957 3.470
274 HA LYS 34 HA LYS 34 7.840 -5.879 3.570
275 HB2 LYS 34 HB2 LYS 34 6.768 -8.667 3.981
276 HB3 LYS 34 HB1 LYS 34 8.458 -8.213 4.177
277 HG2 LYS 34 HG2 LYS 34 7.765 -6.576 5.898
278 HG3 LYS 34 HG1 LYS 34 6.117 -7.176 5.756
279 HD2 LYS 34 HD2 LYS 34 6.662 -9.255 6.663
280 HD3 LYS 34 HD1 LYS 34 8.384 -9.047 6.340
281 HE2 LYS 34 HE2 LYS 34 6.789 -7.457 8.344
282 HE3 LYS 34 HE1 LYS 34 7.824 -8.829 8.736
283 HZ1 LYS 34 HZ1 LYS 34 8.729 -6.291 7.482
284 HZ2 LYS 34 HZ2 LYS 34 9.719 -7.602 7.880
285 HZ3 LYS 34 HZ3 LYS 34 8.953 -6.721 9.100
286 H ASP 35 HN ASP 35 6.870 -5.503 1.091
287 HA ASP 35 HA ASP 35 8.239 -7.498 -0.566
288 HB2 ASP 35 HB2 ASP 35 5.954 -7.149 -1.260
289 HB3 ASP 35 HB1 ASP 35 6.163 -5.403 -1.240
290 H ALA 36 HN ALA 36 9.881 -6.854 -1.918
291 HA ALA 36 HA ALA 36 10.787 -4.068 -1.621
292 HB1 ALA 36 HB1 ALA 36 13.097 -4.844 -1.606
293 HB2 ALA 36 HB2 ALA 36 12.548 -6.516 -1.728
294 HB3 ALA 36 HB3 ALA 36 12.187 -5.574 -0.282
295 H ALA 37 HN ALA 37 9.178 -5.383 -3.708
296 HA ALA 37 HA ALA 37 11.001 -4.960 -5.998
297 HB1 ALA 37 HB1 ALA 37 8.532 -6.690 -5.859
298 HB2 ALA 37 HB2 ALA 37 10.201 -7.260 -5.891
299 HB3 ALA 37 HB3 ALA 37 9.525 -6.432 -7.292
300 H LYS 38 HN LYS 38 7.729 -4.567 -4.771
301 HA LYS 38 HA LYS 38 7.299 -2.369 -6.680
302 HB2 LYS 38 HB2 LYS 38 5.320 -4.094 -5.209
303 HB3 LYS 38 HB1 LYS 38 4.881 -2.708 -6.196
304 HG2 LYS 38 HG2 LYS 38 5.791 -3.801 -8.164
305 HG3 LYS 38 HG1 LYS 38 6.294 -5.180 -7.178
306 HD2 LYS 38 HD2 LYS 38 3.950 -5.555 -6.557
307 HD3 LYS 38 HD1 LYS 38 3.469 -4.220 -7.599
308 HE2 LYS 38 HE2 LYS 38 4.341 -5.407 -9.540
309 HE3 LYS 38 HE1 LYS 38 4.863 -6.735 -8.503
310 HZ1 LYS 38 HZ1 LYS 38 2.055 -5.850 -8.884
311 HZ2 LYS 38 HZ2 LYS 38 2.558 -7.127 -7.900
312 HZ3 LYS 38 HZ3 LYS 38 2.755 -7.224 -9.575
313 H HIS 39 HN HIS 39 7.123 -3.375 -3.315
314 HA HIS 39 HA HIS 39 6.262 -0.781 -2.399
315 HB2 HIS 39 HB2 HIS 39 5.793 -2.941 -1.174
316 HB3 HIS 39 HB1 HIS 39 7.502 -2.998 -0.752
317 HD1 HIS 39 HD1 HIS 39 7.533 -2.430 1.714
318 HD2 HIS 39 HD2 HIS 39 5.087 0.085 -0.505
319 HE1 HIS 39 HE1 HIS 39 6.755 -0.614 3.293
320 H VAL 40 HN VAL 40 7.682 0.788 -2.979
321 HA VAL 40 HA VAL 40 10.537 0.261 -2.577
322 HB VAL 40 HB VAL 40 9.237 2.316 -4.365
323 HG11 VAL 40 HG11 VAL 40 12.132 1.530 -4.043
324 HG12 VAL 40 HG12 VAL 40 11.405 3.084 -3.630
325 HG13 VAL 40 HG13 VAL 40 11.505 2.578 -5.316
326 HG21 VAL 40 HG21 VAL 40 9.987 0.897 -6.214
327 HG22 VAL 40 HG22 VAL 40 8.862 0.041 -5.161
328 HG23 VAL 40 HG23 VAL 40 10.591 -0.290 -5.059
329 H HIS 41 HN HIS 41 11.741 1.381 -1.287
330 HA HIS 41 HA HIS 41 10.683 3.850 -0.101
331 HB2 HIS 41 HB2 HIS 41 11.637 1.366 1.220
332 HB3 HIS 41 HB1 HIS 41 12.122 2.893 1.952
333 HD1 HIS 41 HD1 HIS 41 10.276 1.157 3.599
334 HD2 HIS 41 HD2 HIS 41 8.882 3.891 0.809
335 HE1 HIS 41 HE1 HIS 41 7.978 1.883 4.380
336 H LYS 42 HN LYS 42 12.549 3.366 -2.283
337 HA LYS 42 HA LYS 42 14.451 4.242 -3.131
338 HB2 LYS 42 HB2 LYS 42 13.938 6.254 -1.809
339 HB3 LYS 42 HB1 LYS 42 14.786 5.564 -0.434
340 HG2 LYS 42 HG2 LYS 42 16.161 7.203 -1.584
341 HG3 LYS 42 HG1 LYS 42 16.873 5.592 -1.691
342 HD2 LYS 42 HD2 LYS 42 16.012 5.335 -3.945
343 HD3 LYS 42 HD1 LYS 42 15.219 6.904 -3.841
344 HE2 LYS 42 HE2 LYS 42 17.404 7.980 -3.587
345 HE3 LYS 42 HE1 LYS 42 18.187 6.407 -3.709
346 HZ1 LYS 42 HZ1 LYS 42 18.220 7.574 -5.819
347 HZ2 LYS 42 HZ2 LYS 42 16.532 7.672 -5.820
348 HZ3 LYS 42 HZ3 LYS 42 17.289 6.167 -5.930
349 H GLU 43 HN GLU 43 15.169 3.512 0.280
350 HA GLU 43 HA GLU 43 16.961 1.393 -0.602
351 HB2 GLU 43 HB2 GLU 43 18.404 3.375 -0.320
352 HB3 GLU 43 HB1 GLU 43 17.807 3.573 1.322
353 HG2 GLU 43 HG2 GLU 43 20.014 2.527 1.264
354 HG3 GLU 43 HG1 GLU 43 18.800 1.466 1.975
355 H SER 44 HN SER 44 17.161 -0.268 0.865
356 HA SER 44 HA SER 44 15.926 -0.102 3.474
357 HB2 SER 44 HB2 SER 44 14.751 -1.899 1.329
358 HB3 SER 44 HB1 SER 44 14.299 -1.918 3.033
359 HG SER 44 HG SER 44 14.123 0.589 2.154
360 H GLU 45 HN GLU 45 18.113 -0.622 4.029
361 HA GLU 45 HA GLU 45 19.095 -3.231 3.203
362 HB2 GLU 45 HB2 GLU 45 21.169 -2.658 4.297
363 HB3 GLU 45 HB1 GLU 45 20.665 -1.314 3.290
364 HG2 GLU 45 HG2 GLU 45 20.301 -1.469 6.273
365 HG3 GLU 45 HG1 GLU 45 21.607 -0.620 5.453
366 H GLN 46 HN GLN 46 17.893 -1.585 6.061
367 HA GLN 46 HA GLN 46 17.457 -4.210 7.293
368 HB2 GLN 46 HB2 GLN 46 18.698 -1.798 8.621
369 HB3 GLN 46 HB1 GLN 46 18.018 -3.145 9.523
370 HG2 GLN 46 HG2 GLN 46 19.620 -4.660 8.552
371 HG3 GLN 46 HG1 GLN 46 20.249 -3.380 7.518
372 HE21 GLN 46 HE21 GLN 46 20.062 -4.610 10.768
373 HE22 GLN 46 HE22 GLN 46 21.374 -3.676 11.404
Start of MODEL 5
1 H1 GLY -2 HT1 GLY -2 -26.680 -4.782 -3.416
2 H2 GLY -2 HT2 GLY -2 -27.847 -5.100 -2.231
3 H3 GLY -2 HT3 GLY -2 -26.205 -5.167 -1.840
4 HA2 GLY -2 HA1 GLY -2 -27.656 -2.721 -2.678
5 HA3 GLY -2 HA2 GLY -2 -27.248 -3.133 -1.018
6 HA PRO -1 HA PRO -1 -23.745 -0.621 -2.717
7 HB2 PRO -1 HB2 PRO -1 -23.547 1.086 -0.632
8 HB3 PRO -1 HB1 PRO -1 -24.684 1.341 -1.962
9 HG2 PRO -1 HG2 PRO -1 -25.178 0.202 0.762
10 HG3 PRO -1 HG1 PRO -1 -26.155 1.359 -0.162
11 HD2 PRO -1 HD2 PRO -1 -26.739 -1.294 -0.010
12 HD3 PRO -1 HD1 PRO -1 -27.145 -0.292 -1.414
13 H HIS 0 HN HIS 0 -22.787 -2.812 -2.229
14 HA HIS 0 HA HIS 0 -21.571 -3.234 0.330
15 HB2 HIS 0 HB2 HIS 0 -22.094 -5.072 -1.288
16 HB3 HIS 0 HB1 HIS 0 -20.828 -4.456 -2.340
17 HD1 HIS 0 HD1 HIS 0 -21.401 -6.528 0.663
18 HD2 HIS 0 HD2 HIS 0 -18.176 -4.843 -1.348
19 HE1 HIS 0 HE1 HIS 0 -19.360 -7.668 1.583
20 HE2 HIS 0 HE2 HIS 0 -17.416 -6.527 0.462
21 H MET 1 HN MET 1 -20.665 -1.768 -2.701
22 HA MET 1 HA MET 1 -18.213 -0.763 -1.423
23 HB2 MET 1 HB2 MET 1 -17.657 -2.231 -3.289
24 HB3 MET 1 HB1 MET 1 -18.726 -1.329 -4.352
25 HG2 MET 1 HG2 MET 1 -16.366 -0.787 -4.715
26 HG3 MET 1 HG1 MET 1 -17.307 0.613 -4.209
27 HE1 MET 1 HE1 MET 1 -15.983 -2.347 -1.956
28 HE2 MET 1 HE2 MET 1 -14.434 -1.694 -1.420
29 HE3 MET 1 HE3 MET 1 -14.680 -2.100 -3.117
30 H VAL 2 HN VAL 2 -18.292 1.328 -0.994
31 HA VAL 2 HA VAL 2 -19.979 3.042 -2.693
32 HB VAL 2 HB VAL 2 -20.928 2.659 -0.420
33 HG11 VAL 2 HG11 VAL 2 -18.480 4.125 0.530
34 HG12 VAL 2 HG12 VAL 2 -18.888 2.440 0.847
35 HG13 VAL 2 HG13 VAL 2 -19.887 3.729 1.515
36 HG21 VAL 2 HG21 VAL 2 -20.102 5.498 -1.007
37 HG22 VAL 2 HG22 VAL 2 -21.396 5.014 0.088
38 HG23 VAL 2 HG23 VAL 2 -21.525 4.665 -1.634
39 H SER 3 HN SER 3 -17.068 2.251 -2.592
40 HA SER 3 HA SER 3 -15.107 3.162 -3.220
41 HB2 SER 3 HB2 SER 3 -16.743 5.678 -3.582
42 HB3 SER 3 HB1 SER 3 -15.096 5.446 -4.169
43 HG SER 3 HG SER 3 -17.436 4.040 -4.942
44 H SER 4 HN SER 4 -16.200 3.440 -0.360
45 HA SER 4 HA SER 4 -14.541 5.622 0.619
46 HB2 SER 4 HB2 SER 4 -16.194 3.584 2.135
47 HB3 SER 4 HB1 SER 4 -15.391 4.987 2.841
48 HG SER 4 HG SER 4 -16.731 6.322 1.594
49 H ALA 5 HN ALA 5 -14.243 2.367 -0.155
50 HA ALA 5 HA ALA 5 -11.920 2.010 1.603
51 HB1 ALA 5 HB1 ALA 5 -13.634 0.254 1.755
52 HB2 ALA 5 HB2 ALA 5 -12.112 -0.373 1.123
53 HB3 ALA 5 HB3 ALA 5 -13.458 -0.057 0.028
54 H VAL 6 HN VAL 6 -10.052 1.010 0.693
55 HA VAL 6 HA VAL 6 -9.604 2.031 -2.029
56 HB VAL 6 HB VAL 6 -8.632 3.279 0.014
57 HG11 VAL 6 HG11 VAL 6 -6.713 0.967 -0.111
58 HG12 VAL 6 HG12 VAL 6 -7.768 1.399 1.234
59 HG13 VAL 6 HG13 VAL 6 -6.443 2.468 0.775
60 HG21 VAL 6 HG21 VAL 6 -8.041 3.792 -2.244
61 HG22 VAL 6 HG22 VAL 6 -6.883 2.463 -2.282
62 HG23 VAL 6 HG23 VAL 6 -6.604 3.846 -1.225
63 H LYS 7 HN LYS 7 -7.878 0.905 -3.225
64 HA LYS 7 HA LYS 7 -7.803 -1.936 -2.487
65 HB2 LYS 7 HB2 LYS 7 -7.216 -0.627 -5.148
66 HB3 LYS 7 HB1 LYS 7 -7.225 -2.356 -4.825
67 HG2 LYS 7 HG2 LYS 7 -9.631 -0.620 -4.459
68 HG3 LYS 7 HG1 LYS 7 -9.255 -1.489 -5.951
69 HD2 LYS 7 HD2 LYS 7 -9.112 -3.580 -4.535
70 HD3 LYS 7 HD1 LYS 7 -9.820 -2.631 -3.227
71 HE2 LYS 7 HE2 LYS 7 -11.513 -3.889 -4.434
72 HE3 LYS 7 HE1 LYS 7 -11.753 -2.154 -4.602
73 HZ1 LYS 7 HZ1 LYS 7 -12.054 -3.344 -6.698
74 HZ2 LYS 7 HZ2 LYS 7 -10.459 -3.898 -6.625
75 HZ3 LYS 7 HZ3 LYS 7 -10.775 -2.245 -6.786
76 H CYS 8 HN CYS 8 -5.838 -3.151 -2.868
77 HA CYS 8 HA CYS 8 -3.568 -1.966 -1.686
78 HB2 CYS 8 HB2 CYS 8 -4.169 -4.406 -1.680
79 HB3 CYS 8 HB1 CYS 8 -3.679 -4.478 -3.361
80 H GLY 9 HN GLY 9 -1.997 -0.762 -2.563
81 HA2 GLY 9 HA2 GLY 9 -2.064 -0.238 -5.415
82 HA3 GLY 9 HA1 GLY 9 -1.081 0.592 -4.215
83 H ILE 10 HN ILE 10 -0.692 -2.655 -3.716
84 HA ILE 10 HA ILE 10 1.848 -2.551 -5.182
85 HB ILE 10 HB ILE 10 1.151 -4.309 -2.831
86 HG12 ILE 10 HG12 ILE 10 2.497 -1.611 -3.010
87 HG13 ILE 10 HG11 ILE 10 1.098 -2.064 -2.045
88 HG21 ILE 10 HG21 ILE 10 3.548 -4.712 -2.700
89 HG22 ILE 10 HG22 ILE 10 3.813 -3.663 -4.092
90 HG23 ILE 10 HG23 ILE 10 2.933 -5.178 -4.289
91 HD11 ILE 10 HD11 ILE 10 2.483 -3.365 -0.574
92 HD12 ILE 10 HD12 ILE 10 3.143 -1.737 -0.721
93 HD13 ILE 10 HD13 ILE 10 3.889 -3.074 -1.593
94 H CYS 11 HN CYS 11 -0.995 -4.567 -4.603
95 HA CYS 11 HA CYS 11 -0.045 -6.262 -6.816
96 HB2 CYS 11 HB2 CYS 11 -1.160 -8.177 -5.853
97 HB3 CYS 11 HB1 CYS 11 -0.082 -7.467 -4.659
98 H ARG 12 HN ARG 12 -2.470 -4.208 -5.677
99 HA ARG 12 HA ARG 12 -4.447 -3.461 -6.475
100 HB2 ARG 12 HB2 ARG 12 -3.620 -4.816 -9.048
101 HB3 ARG 12 HB1 ARG 12 -4.852 -3.575 -8.879
102 HG2 ARG 12 HG2 ARG 12 -1.925 -3.188 -8.288
103 HG3 ARG 12 HG1 ARG 12 -2.726 -2.729 -9.789
104 HD2 ARG 12 HD2 ARG 12 -4.150 -1.177 -8.584
105 HD3 ARG 12 HD1 ARG 12 -3.431 -1.678 -7.052
106 HE ARG 12 HE ARG 12 -1.394 -0.807 -8.777
107 HH11 ARG 12 HH11 ARG 12 -4.110 0.510 -6.995
108 HH12 ARG 12 HH12 ARG 12 -3.351 2.049 -6.740
109 HH21 ARG 12 HH21 ARG 12 -0.408 1.205 -8.461
110 HH22 ARG 12 HH22 ARG 12 -1.237 2.449 -7.579
111 H GLY 13 HN GLY 13 -4.191 -6.212 -5.324
112 HA2 GLY 13 HA2 GLY 13 -6.103 -7.807 -6.811
113 HA3 GLY 13 HA1 GLY 13 -5.245 -8.291 -5.357
114 H VAL 14 HN VAL 14 -5.932 -7.051 -3.346
115 HA VAL 14 HA VAL 14 -8.856 -6.762 -3.405
116 HB VAL 14 HB VAL 14 -8.969 -7.610 -1.129
117 HG11 VAL 14 HG11 VAL 14 -7.365 -9.442 -2.902
118 HG12 VAL 14 HG12 VAL 14 -9.117 -9.235 -2.937
119 HG13 VAL 14 HG13 VAL 14 -8.339 -9.938 -1.518
120 HG21 VAL 14 HG21 VAL 14 -6.830 -6.829 -0.292
121 HG22 VAL 14 HG22 VAL 14 -5.984 -7.976 -1.331
122 HG23 VAL 14 HG23 VAL 14 -7.003 -8.562 -0.016
123 H ASP 15 HN ASP 15 -9.293 -5.756 -0.929
124 HA ASP 15 HA ASP 15 -8.744 -3.034 -1.251
125 HB2 ASP 15 HB2 ASP 15 -9.723 -2.743 0.974
126 HB3 ASP 15 HB1 ASP 15 -10.683 -3.845 -0.004
127 H GLY 16 HN GLY 16 -7.389 -1.625 -0.237
128 HA2 GLY 16 HA2 GLY 16 -4.971 -2.782 0.940
129 HA3 GLY 16 HA1 GLY 16 -5.163 -1.126 0.374
130 H LYS 17 HN LYS 17 -6.374 -3.370 2.806
131 HA LYS 17 HA LYS 17 -7.531 -1.451 4.495
132 HB2 LYS 17 HB2 LYS 17 -7.180 -3.329 6.248
133 HB3 LYS 17 HB1 LYS 17 -8.278 -3.583 4.899
134 HG2 LYS 17 HG2 LYS 17 -6.724 -4.942 3.762
135 HG3 LYS 17 HG1 LYS 17 -5.412 -4.476 4.843
136 HD2 LYS 17 HD2 LYS 17 -6.178 -6.688 5.416
137 HD3 LYS 17 HD1 LYS 17 -6.614 -5.562 6.701
138 HE2 LYS 17 HE2 LYS 17 -8.439 -7.129 6.177
139 HE3 LYS 17 HE1 LYS 17 -8.889 -5.452 5.884
140 HZ1 LYS 17 HZ1 LYS 17 -8.594 -5.760 3.544
141 HZ2 LYS 17 HZ2 LYS 17 -9.593 -7.000 4.115
142 HZ3 LYS 17 HZ3 LYS 17 -7.974 -7.320 3.769
143 H TYR 18 HN TYR 18 -4.252 -2.577 4.224
144 HA TYR 18 HA TYR 18 -3.501 -1.095 6.639
145 HB2 TYR 18 HB2 TYR 18 -2.191 -3.274 5.047
146 HB3 TYR 18 HB1 TYR 18 -1.221 -2.243 6.084
147 HD1 TYR 18 HD1 TYR 18 -4.429 -4.148 6.343
148 HD2 TYR 18 HD2 TYR 18 -0.723 -3.112 8.143
149 HE1 TYR 18 HE1 TYR 18 -4.957 -5.606 8.244
150 HE2 TYR 18 HE2 TYR 18 -1.242 -4.565 10.055
151 HH TYR 18 HH TYR 18 -3.291 -5.499 11.155
152 H LYS 19 HN LYS 19 -1.797 0.465 6.545
153 HA LYS 19 HA LYS 19 -1.092 1.392 3.855
154 HB2 LYS 19 HB2 LYS 19 -3.082 2.657 4.816
155 HB3 LYS 19 HB1 LYS 19 -1.980 3.283 6.033
156 HG2 LYS 19 HG2 LYS 19 -1.192 3.618 3.199
157 HG3 LYS 19 HG1 LYS 19 -2.540 4.589 3.789
158 HD2 LYS 19 HD2 LYS 19 -0.062 4.472 5.429
159 HD3 LYS 19 HD1 LYS 19 -0.035 5.426 3.947
160 HE2 LYS 19 HE2 LYS 19 -0.626 6.804 5.872
161 HE3 LYS 19 HE1 LYS 19 -1.956 6.709 4.725
162 HZ1 LYS 19 HZ1 LYS 19 -2.723 6.497 6.999
163 HZ2 LYS 19 HZ2 LYS 19 -1.736 5.149 7.237
164 HZ3 LYS 19 HZ3 LYS 19 -3.019 5.072 6.143
165 H CYS 20 HN CYS 20 0.878 2.460 3.698
166 HA CYS 20 HA CYS 20 2.691 2.005 5.953
167 HB2 CYS 20 HB2 CYS 20 3.293 1.145 3.704
168 HB3 CYS 20 HB1 CYS 20 3.315 2.792 3.098
169 HA PRO 21 HA PRO 21 2.161 6.443 6.703
170 HB2 PRO 21 HB2 PRO 21 3.570 6.465 9.033
171 HB3 PRO 21 HB1 PRO 21 1.885 5.943 8.927
172 HG2 PRO 21 HG2 PRO 21 4.381 4.286 8.988
173 HG3 PRO 21 HG1 PRO 21 2.855 4.038 9.858
174 HD2 PRO 21 HD2 PRO 21 3.463 2.662 7.619
175 HD3 PRO 21 HD1 PRO 21 1.800 3.144 8.004
176 H LYS 22 HN LYS 22 4.859 4.662 5.861
177 HA LYS 22 HA LYS 22 6.780 6.803 6.253
178 HB2 LYS 22 HB2 LYS 22 7.135 4.100 4.946
179 HB3 LYS 22 HB1 LYS 22 8.421 5.225 5.364
180 HG2 LYS 22 HG2 LYS 22 6.586 3.825 7.292
181 HG3 LYS 22 HG1 LYS 22 8.286 3.446 6.998
182 HD2 LYS 22 HD2 LYS 22 8.930 5.651 7.810
183 HD3 LYS 22 HD1 LYS 22 7.237 6.067 8.066
184 HE2 LYS 22 HE2 LYS 22 7.055 4.251 9.707
185 HE3 LYS 22 HE1 LYS 22 8.761 3.875 9.466
186 HZ1 LYS 22 HZ1 LYS 22 7.732 6.485 10.432
187 HZ2 LYS 22 HZ2 LYS 22 9.354 6.028 10.306
188 HZ3 LYS 22 HZ3 LYS 22 8.347 5.267 11.430
189 H CYS 23 HN CYS 23 5.723 4.862 3.451
190 HA CYS 23 HA CYS 23 6.629 7.041 1.726
191 HB2 CYS 23 HB2 CYS 23 6.470 5.412 -0.117
192 HB3 CYS 23 HB1 CYS 23 7.507 4.837 1.179
193 H GLY 24 HN GLY 24 3.768 5.369 2.761
194 HA2 GLY 24 HA2 GLY 24 1.668 6.486 2.753
195 HA3 GLY 24 HA1 GLY 24 2.176 7.371 1.324
196 H VAL 25 HN VAL 25 2.875 4.026 1.389
197 HA VAL 25 HA VAL 25 1.108 3.627 -0.858
198 HB VAL 25 HB VAL 25 3.513 2.755 -0.657
199 HG11 VAL 25 HG11 VAL 25 2.091 0.703 1.026
200 HG12 VAL 25 HG12 VAL 25 3.468 1.714 1.479
201 HG13 VAL 25 HG13 VAL 25 3.667 0.445 0.273
202 HG21 VAL 25 HG21 VAL 25 1.313 0.893 -1.520
203 HG22 VAL 25 HG22 VAL 25 3.007 0.766 -1.994
204 HG23 VAL 25 HG23 VAL 25 2.054 2.164 -2.490
205 H ARG 26 HN ARG 26 -0.361 1.883 -1.007
206 HA ARG 26 HA ARG 26 -1.566 1.096 1.558
207 HB2 ARG 26 HB2 ARG 26 -2.750 1.660 -1.149
208 HB3 ARG 26 HB1 ARG 26 -3.598 0.636 0.001
209 HG2 ARG 26 HG2 ARG 26 -2.697 3.429 0.645
210 HG3 ARG 26 HG1 ARG 26 -4.282 3.049 -0.034
211 HD2 ARG 26 HD2 ARG 26 -4.693 1.541 1.881
212 HD3 ARG 26 HD1 ARG 26 -3.148 2.035 2.568
213 HE ARG 26 HE ARG 26 -4.455 4.381 2.188
214 HH11 ARG 26 HH11 ARG 26 -5.329 1.386 3.776
215 HH12 ARG 26 HH12 ARG 26 -6.282 2.167 4.999
216 HH21 ARG 26 HH21 ARG 26 -5.709 5.412 3.796
217 HH22 ARG 26 HH22 ARG 26 -6.497 4.456 5.012
218 H TYR 27 HN TYR 27 -1.576 -1.017 2.035
219 HA TYR 27 HA TYR 27 -1.359 -2.917 -0.183
220 HB2 TYR 27 HB2 TYR 27 -0.017 -4.301 1.703
221 HB3 TYR 27 HB1 TYR 27 0.759 -3.332 0.463
222 HD1 TYR 27 HD1 TYR 27 -0.822 -2.631 3.774
223 HD2 TYR 27 HD2 TYR 27 2.569 -2.171 1.260
224 HE1 TYR 27 HE1 TYR 27 0.299 -1.310 5.519
225 HE2 TYR 27 HE2 TYR 27 3.696 -0.865 3.008
226 HH TYR 27 HH TYR 27 2.440 -0.667 6.214
227 H CYS 28 HN CYS 28 -2.157 -4.929 0.158
228 HA CYS 28 HA CYS 28 -4.611 -4.948 1.565
229 HB2 CYS 28 HB2 CYS 28 -4.839 -7.212 0.589
230 HB3 CYS 28 HB1 CYS 28 -4.390 -6.009 -0.610
231 H SER 29 HN SER 29 -1.416 -6.087 2.253
232 HA SER 29 HA SER 29 -1.986 -6.782 4.907
233 HB2 SER 29 HB2 SER 29 -1.643 -9.261 4.729
234 HB3 SER 29 HB1 SER 29 -3.141 -8.715 3.984
235 HG SER 29 HG SER 29 -2.419 -9.286 2.085
236 H LEU 30 HN LEU 30 -0.089 -8.560 5.563
237 HA LEU 30 HA LEU 30 2.340 -7.192 5.267
238 HB2 LEU 30 HB2 LEU 30 1.629 -9.934 6.232
239 HB3 LEU 30 HB1 LEU 30 3.303 -9.435 6.105
240 HG LEU 30 HG LEU 30 1.208 -8.054 7.789
241 HD11 LEU 30 HD11 LEU 30 1.762 -10.275 8.641
242 HD12 LEU 30 HD12 LEU 30 2.394 -9.006 9.690
243 HD13 LEU 30 HD13 LEU 30 3.477 -9.866 8.595
244 HD21 LEU 30 HD21 LEU 30 3.140 -6.869 8.753
245 HD22 LEU 30 HD22 LEU 30 2.930 -6.514 7.039
246 HD23 LEU 30 HD23 LEU 30 4.188 -7.634 7.561
247 H LYS 31 HN LYS 31 0.771 -9.476 3.249
248 HA LYS 31 HA LYS 31 2.953 -10.725 2.013
249 HB2 LYS 31 HB2 LYS 31 0.318 -9.991 0.724
250 HB3 LYS 31 HB1 LYS 31 1.429 -11.242 0.188
251 HG2 LYS 31 HG2 LYS 31 -0.059 -11.248 2.805
252 HG3 LYS 31 HG1 LYS 31 -0.527 -12.143 1.361
253 HD2 LYS 31 HD2 LYS 31 1.634 -13.346 1.457
254 HD3 LYS 31 HD1 LYS 31 2.003 -12.501 2.964
255 HE2 LYS 31 HE2 LYS 31 -0.037 -13.463 3.963
256 HE3 LYS 31 HE1 LYS 31 -0.322 -14.356 2.472
257 HZ1 LYS 31 HZ1 LYS 31 1.784 -15.501 2.808
258 HZ2 LYS 31 HZ2 LYS 31 0.747 -15.737 4.121
259 HZ3 LYS 31 HZ3 LYS 31 2.037 -14.653 4.249
260 H CYS 32 HN CYS 32 1.457 -7.615 1.480
261 HA CYS 32 HA CYS 32 3.394 -7.049 -0.650
262 HB2 CYS 32 HB2 CYS 32 0.789 -5.692 0.064
263 HB3 CYS 32 HB1 CYS 32 1.901 -5.103 -1.166
264 H TYR 33 HN TYR 33 2.524 -6.306 2.585
265 HA TYR 33 HA TYR 33 3.710 -3.782 2.900
266 HB2 TYR 33 HB2 TYR 33 2.257 -5.101 4.570
267 HB3 TYR 33 HB1 TYR 33 3.735 -5.948 5.011
268 HD1 TYR 33 HD1 TYR 33 5.231 -3.085 4.431
269 HD2 TYR 33 HD2 TYR 33 2.175 -4.512 7.017
270 HE1 TYR 33 HE1 TYR 33 5.744 -1.275 6.034
271 HE2 TYR 33 HE2 TYR 33 2.693 -2.729 8.628
272 HH TYR 33 HH TYR 33 4.664 -0.066 7.845
273 H LYS 34 HN LYS 34 5.041 -7.005 3.604
274 HA LYS 34 HA LYS 34 7.697 -5.874 3.890
275 HB2 LYS 34 HB2 LYS 34 6.706 -8.706 4.220
276 HB3 LYS 34 HB1 LYS 34 8.339 -8.164 4.577
277 HG2 LYS 34 HG2 LYS 34 7.401 -6.601 6.253
278 HG3 LYS 34 HG1 LYS 34 5.807 -7.288 5.948
279 HD2 LYS 34 HD2 LYS 34 8.166 -8.946 6.823
280 HD3 LYS 34 HD1 LYS 34 7.071 -8.175 7.965
281 HE2 LYS 34 HE2 LYS 34 6.290 -10.381 7.750
282 HE3 LYS 34 HE1 LYS 34 5.196 -9.406 6.775
283 HZ1 LYS 34 HZ1 LYS 34 7.502 -10.899 5.653
284 HZ2 LYS 34 HZ2 LYS 34 6.247 -10.154 4.797
285 HZ3 LYS 34 HZ3 LYS 34 5.933 -11.520 5.733
286 H ASP 35 HN ASP 35 6.915 -5.463 1.385
287 HA ASP 35 HA ASP 35 8.349 -7.459 -0.215
288 HB2 ASP 35 HB2 ASP 35 6.069 -7.194 -0.963
289 HB3 ASP 35 HB1 ASP 35 6.225 -5.443 -0.972
290 H ALA 36 HN ALA 36 9.977 -6.746 -1.590
291 HA ALA 36 HA ALA 36 10.777 -3.928 -1.282
292 HB1 ALA 36 HB1 ALA 36 13.121 -4.647 -1.270
293 HB2 ALA 36 HB2 ALA 36 12.601 -6.330 -1.324
294 HB3 ALA 36 HB3 ALA 36 12.221 -5.334 0.081
295 H ALA 37 HN ALA 37 9.278 -5.390 -3.395
296 HA ALA 37 HA ALA 37 11.129 -4.905 -5.649
297 HB1 ALA 37 HB1 ALA 37 10.501 -7.251 -5.498
298 HB2 ALA 37 HB2 ALA 37 9.787 -6.517 -6.934
299 HB3 ALA 37 HB3 ALA 37 8.794 -6.810 -5.505
300 H LYS 38 HN LYS 38 7.814 -4.688 -4.504
301 HA LYS 38 HA LYS 38 7.276 -2.603 -6.513
302 HB2 LYS 38 HB2 LYS 38 5.374 -4.434 -5.060
303 HB3 LYS 38 HB1 LYS 38 4.873 -3.107 -6.099
304 HG2 LYS 38 HG2 LYS 38 5.959 -4.179 -8.001
305 HG3 LYS 38 HG1 LYS 38 6.474 -5.509 -6.957
306 HD2 LYS 38 HD2 LYS 38 4.139 -6.029 -6.475
307 HD3 LYS 38 HD1 LYS 38 3.623 -4.700 -7.509
308 HE2 LYS 38 HE2 LYS 38 4.703 -5.799 -9.422
309 HE3 LYS 38 HE1 LYS 38 5.159 -7.142 -8.377
310 HZ1 LYS 38 HZ1 LYS 38 3.152 -7.612 -9.650
311 HZ2 LYS 38 HZ2 LYS 38 2.375 -6.287 -8.950
312 HZ3 LYS 38 HZ3 LYS 38 2.831 -7.603 -7.993
313 H HIS 39 HN HIS 39 7.241 -3.479 -3.136
314 HA HIS 39 HA HIS 39 6.249 -0.874 -2.328
315 HB2 HIS 39 HB2 HIS 39 5.785 -2.930 -0.972
316 HB3 HIS 39 HB1 HIS 39 7.507 -3.042 -0.622
317 HD1 HIS 39 HD1 HIS 39 7.061 -2.691 1.952
318 HD2 HIS 39 HD2 HIS 39 5.831 0.442 -0.493
319 HE1 HIS 39 HE1 HIS 39 6.583 -0.731 3.478
320 H VAL 40 HN VAL 40 7.609 0.726 -2.866
321 HA VAL 40 HA VAL 40 10.462 0.209 -2.829
322 HB VAL 40 HB VAL 40 8.921 2.529 -3.985
323 HG11 VAL 40 HG11 VAL 40 11.844 1.816 -4.202
324 HG12 VAL 40 HG12 VAL 40 11.165 3.216 -3.371
325 HG13 VAL 40 HG13 VAL 40 11.032 3.080 -5.124
326 HG21 VAL 40 HG21 VAL 40 9.402 1.505 -6.138
327 HG22 VAL 40 HG22 VAL 40 8.516 0.379 -5.107
328 HG23 VAL 40 HG23 VAL 40 10.253 0.183 -5.339
329 H HIS 41 HN HIS 41 11.524 0.601 -1.109
330 HA HIS 41 HA HIS 41 11.146 3.168 0.263
331 HB2 HIS 41 HB2 HIS 41 11.405 0.429 1.394
332 HB3 HIS 41 HB1 HIS 41 12.265 1.719 2.227
333 HD1 HIS 41 HD1 HIS 41 10.201 0.596 3.951
334 HD2 HIS 41 HD2 HIS 41 9.235 3.407 1.044
335 HE1 HIS 41 HE1 HIS 41 8.080 1.737 4.730
336 H LYS 42 HN LYS 42 13.440 0.475 -0.139
337 HA LYS 42 HA LYS 42 15.649 2.389 -0.061
338 HB2 LYS 42 HB2 LYS 42 15.704 -0.635 -0.092
339 HB3 LYS 42 HB1 LYS 42 17.105 0.409 0.077
340 HG2 LYS 42 HG2 LYS 42 14.827 0.123 2.024
341 HG3 LYS 42 HG1 LYS 42 16.475 -0.470 2.226
342 HD2 LYS 42 HD2 LYS 42 15.614 2.417 2.044
343 HD3 LYS 42 HD1 LYS 42 16.146 1.575 3.498
344 HE2 LYS 42 HE2 LYS 42 18.353 1.223 2.457
345 HE3 LYS 42 HE1 LYS 42 17.813 2.129 1.045
346 HZ1 LYS 42 HZ1 LYS 42 18.090 3.173 3.808
347 HZ2 LYS 42 HZ2 LYS 42 17.457 4.052 2.510
348 HZ3 LYS 42 HZ3 LYS 42 19.070 3.554 2.485
349 H GLU 43 HN GLU 43 15.333 3.342 -2.079
350 HA GLU 43 HA GLU 43 16.511 1.864 -4.256
351 HB2 GLU 43 HB2 GLU 43 14.113 1.307 -4.472
352 HB3 GLU 43 HB1 GLU 43 13.729 3.021 -4.535
353 HG2 GLU 43 HG2 GLU 43 13.711 1.993 -6.747
354 HG3 GLU 43 HG1 GLU 43 14.943 3.247 -6.616
355 H SER 44 HN SER 44 17.445 3.173 -5.767
356 HA SER 44 HA SER 44 17.017 6.038 -5.675
357 HB2 SER 44 HB2 SER 44 18.725 5.680 -3.933
358 HB3 SER 44 HB1 SER 44 19.732 4.822 -5.098
359 HG SER 44 HG SER 44 20.239 6.657 -6.058
360 H GLU 45 HN GLU 45 16.188 5.500 -7.753
361 HA GLU 45 HA GLU 45 17.646 4.213 -9.766
362 HB2 GLU 45 HB2 GLU 45 15.594 6.385 -10.206
363 HB3 GLU 45 HB1 GLU 45 16.033 5.095 -11.314
364 HG2 GLU 45 HG2 GLU 45 14.127 4.195 -10.512
365 HG3 GLU 45 HG1 GLU 45 15.222 3.603 -9.265
366 H GLN 46 HN GLN 46 19.631 4.845 -10.257
367 HA GLN 46 HA GLN 46 20.011 7.339 -11.614
368 HB2 GLN 46 HB2 GLN 46 20.316 7.992 -9.229
369 HB3 GLN 46 HB1 GLN 46 21.600 6.800 -9.093
370 HG2 GLN 46 HG2 GLN 46 22.897 8.010 -10.775
371 HG3 GLN 46 HG1 GLN 46 21.610 9.207 -10.900
372 HE21 GLN 46 HE21 GLN 46 24.151 7.927 -8.905
373 HE22 GLN 46 HE22 GLN 46 24.228 9.260 -7.805
Start of MODEL 6
1 H1 GLY -2 HT1 GLY -2 -15.514 -2.249 12.394
2 H2 GLY -2 HT2 GLY -2 -16.296 -1.985 13.868
3 H3 GLY -2 HT3 GLY -2 -14.740 -2.644 13.845
4 HA2 GLY -2 HA1 GLY -2 -14.671 -0.320 14.484
5 HA3 GLY -2 HA2 GLY -2 -13.837 -0.601 12.963
6 HA PRO -1 HA PRO -1 -16.497 3.144 12.306
7 HB2 PRO -1 HB2 PRO -1 -14.528 3.259 10.070
8 HB3 PRO -1 HB1 PRO -1 -15.114 4.554 11.121
9 HG2 PRO -1 HG2 PRO -1 -12.691 3.513 11.476
10 HG3 PRO -1 HG1 PRO -1 -13.702 3.957 12.863
11 HD2 PRO -1 HD2 PRO -1 -13.093 1.259 11.746
12 HD3 PRO -1 HD1 PRO -1 -13.337 1.755 13.432
13 H HIS 0 HN HIS 0 -18.324 2.985 11.200
14 HA HIS 0 HA HIS 0 -18.458 1.079 8.969
15 HB2 HIS 0 HB2 HIS 0 -20.678 2.257 10.659
16 HB3 HIS 0 HB1 HIS 0 -20.902 1.091 9.361
17 HD1 HIS 0 HD1 HIS 0 -20.810 1.184 12.864
18 HD2 HIS 0 HD2 HIS 0 -19.124 -1.342 10.030
19 HE1 HIS 0 HE1 HIS 0 -20.290 -0.948 14.084
20 HE2 HIS 0 HE2 HIS 0 -19.067 -2.366 12.404
21 H MET 1 HN MET 1 -17.303 3.040 7.909
22 HA MET 1 HA MET 1 -19.325 4.916 6.879
23 HB2 MET 1 HB2 MET 1 -16.319 5.212 6.956
24 HB3 MET 1 HB1 MET 1 -17.440 6.391 6.293
25 HG2 MET 1 HG2 MET 1 -18.442 6.679 8.502
26 HG3 MET 1 HG1 MET 1 -17.308 5.503 9.164
27 HE1 MET 1 HE1 MET 1 -14.668 6.282 7.466
28 HE2 MET 1 HE2 MET 1 -14.670 5.866 9.180
29 HE3 MET 1 HE3 MET 1 -13.878 7.344 8.633
30 H VAL 2 HN VAL 2 -16.243 3.509 5.776
31 HA VAL 2 HA VAL 2 -15.549 2.764 3.741
32 HB VAL 2 HB VAL 2 -18.349 1.725 3.321
33 HG11 VAL 2 HG11 VAL 2 -15.637 0.621 2.589
34 HG12 VAL 2 HG12 VAL 2 -16.775 1.397 1.488
35 HG13 VAL 2 HG13 VAL 2 -17.189 -0.142 2.242
36 HG21 VAL 2 HG21 VAL 2 -16.215 0.519 5.082
37 HG22 VAL 2 HG22 VAL 2 -17.748 -0.241 4.648
38 HG23 VAL 2 HG23 VAL 2 -17.735 1.226 5.629
39 H SER 3 HN SER 3 -16.161 5.387 3.663
40 HA SER 3 HA SER 3 -17.817 5.854 1.307
41 HB2 SER 3 HB2 SER 3 -16.440 7.834 3.140
42 HB3 SER 3 HB1 SER 3 -17.602 8.226 1.872
43 HG SER 3 HG SER 3 -18.277 7.897 4.256
44 H SER 4 HN SER 4 -14.591 5.412 2.203
45 HA SER 4 HA SER 4 -13.772 5.883 -0.545
46 HB2 SER 4 HB2 SER 4 -12.294 7.084 1.812
47 HB3 SER 4 HB1 SER 4 -11.758 7.126 0.132
48 HG SER 4 HG SER 4 -14.225 8.045 0.157
49 H ALA 5 HN ALA 5 -13.631 3.649 -0.725
50 HA ALA 5 HA ALA 5 -11.751 2.261 1.030
51 HB1 ALA 5 HB1 ALA 5 -13.583 1.145 -1.095
52 HB2 ALA 5 HB2 ALA 5 -13.916 1.163 0.636
53 HB3 ALA 5 HB3 ALA 5 -12.576 0.203 0.006
54 H VAL 6 HN VAL 6 -10.064 1.046 0.188
55 HA VAL 6 HA VAL 6 -9.082 2.118 -2.352
56 HB VAL 6 HB VAL 6 -8.255 3.430 -0.398
57 HG11 VAL 6 HG11 VAL 6 -6.826 0.880 0.325
58 HG12 VAL 6 HG12 VAL 6 -8.121 1.646 1.245
59 HG13 VAL 6 HG13 VAL 6 -6.565 2.457 1.068
60 HG21 VAL 6 HG21 VAL 6 -6.202 1.915 -1.972
61 HG22 VAL 6 HG22 VAL 6 -5.921 3.421 -1.099
62 HG23 VAL 6 HG23 VAL 6 -7.042 3.385 -2.458
63 H LYS 7 HN LYS 7 -7.757 0.736 -3.497
64 HA LYS 7 HA LYS 7 -7.680 -2.014 -2.491
65 HB2 LYS 7 HB2 LYS 7 -7.238 -0.975 -5.296
66 HB3 LYS 7 HB1 LYS 7 -7.289 -2.666 -4.818
67 HG2 LYS 7 HG2 LYS 7 -9.594 -0.780 -4.468
68 HG3 LYS 7 HG1 LYS 7 -9.371 -1.820 -5.876
69 HD2 LYS 7 HD2 LYS 7 -9.398 -3.789 -4.432
70 HD3 LYS 7 HD1 LYS 7 -9.595 -2.755 -3.016
71 HE2 LYS 7 HE2 LYS 7 -11.521 -2.812 -5.316
72 HE3 LYS 7 HE1 LYS 7 -11.699 -3.815 -3.880
73 HZ1 LYS 7 HZ1 LYS 7 -11.803 -1.812 -2.530
74 HZ2 LYS 7 HZ2 LYS 7 -13.011 -1.790 -3.724
75 HZ3 LYS 7 HZ3 LYS 7 -11.624 -0.845 -3.913
76 H CYS 8 HN CYS 8 -5.778 -3.257 -2.668
77 HA CYS 8 HA CYS 8 -3.462 -2.049 -1.708
78 HB2 CYS 8 HB2 CYS 8 -4.036 -4.459 -1.533
79 HB3 CYS 8 HB1 CYS 8 -3.684 -4.645 -3.241
80 H GLY 9 HN GLY 9 -2.062 -0.738 -2.700
81 HA2 GLY 9 HA2 GLY 9 -2.189 -0.385 -5.548
82 HA3 GLY 9 HA1 GLY 9 -1.152 0.489 -4.431
83 H ILE 10 HN ILE 10 -0.665 -2.701 -3.797
84 HA ILE 10 HA ILE 10 1.812 -2.607 -5.348
85 HB ILE 10 HB ILE 10 1.163 -4.394 -3.004
86 HG12 ILE 10 HG12 ILE 10 2.468 -1.676 -3.163
87 HG13 ILE 10 HG11 ILE 10 1.091 -2.161 -2.185
88 HG21 ILE 10 HG21 ILE 10 3.787 -3.699 -4.324
89 HG22 ILE 10 HG22 ILE 10 2.937 -5.238 -4.460
90 HG23 ILE 10 HG23 ILE 10 3.588 -4.725 -2.903
91 HD11 ILE 10 HD11 ILE 10 3.900 -3.137 -1.782
92 HD12 ILE 10 HD12 ILE 10 2.505 -3.452 -0.747
93 HD13 ILE 10 HD13 ILE 10 3.147 -1.816 -0.891
94 H CYS 11 HN CYS 11 -0.983 -4.665 -4.691
95 HA CYS 11 HA CYS 11 -0.097 -6.351 -6.935
96 HB2 CYS 11 HB2 CYS 11 -1.103 -8.283 -5.910
97 HB3 CYS 11 HB1 CYS 11 -0.025 -7.520 -4.746
98 H ARG 12 HN ARG 12 -2.529 -4.375 -5.643
99 HA ARG 12 HA ARG 12 -4.548 -3.664 -6.333
100 HB2 ARG 12 HB2 ARG 12 -3.636 -4.811 -8.977
101 HB3 ARG 12 HB1 ARG 12 -5.058 -3.801 -8.769
102 HG2 ARG 12 HG2 ARG 12 -2.206 -2.992 -8.235
103 HG3 ARG 12 HG1 ARG 12 -3.196 -2.499 -9.609
104 HD2 ARG 12 HD2 ARG 12 -3.649 -1.822 -6.705
105 HD3 ARG 12 HD1 ARG 12 -3.145 -0.721 -7.986
106 HE ARG 12 HE ARG 12 -5.542 -1.780 -8.821
107 HH11 ARG 12 HH11 ARG 12 -4.418 0.133 -6.106
108 HH12 ARG 12 HH12 ARG 12 -5.966 0.866 -5.828
109 HH21 ARG 12 HH21 ARG 12 -7.560 -0.812 -8.462
110 HH22 ARG 12 HH22 ARG 12 -7.752 0.335 -7.172
111 H GLY 13 HN GLY 13 -4.367 -6.255 -5.120
112 HA2 GLY 13 HA2 GLY 13 -6.317 -7.896 -6.515
113 HA3 GLY 13 HA1 GLY 13 -5.492 -8.300 -5.016
114 H VAL 14 HN VAL 14 -6.191 -7.129 -3.062
115 HA VAL 14 HA VAL 14 -9.085 -6.615 -3.202
116 HB VAL 14 HB VAL 14 -9.286 -7.420 -0.930
117 HG11 VAL 14 HG11 VAL 14 -8.675 -9.780 -1.246
118 HG12 VAL 14 HG12 VAL 14 -7.687 -9.322 -2.634
119 HG13 VAL 14 HG13 VAL 14 -9.435 -9.090 -2.680
120 HG21 VAL 14 HG21 VAL 14 -7.369 -8.401 0.263
121 HG22 VAL 14 HG22 VAL 14 -7.174 -6.672 -0.021
122 HG23 VAL 14 HG23 VAL 14 -6.303 -7.832 -1.021
123 H ASP 15 HN ASP 15 -9.603 -5.480 -0.836
124 HA ASP 15 HA ASP 15 -8.736 -2.823 -1.164
125 HB2 ASP 15 HB2 ASP 15 -10.124 -4.149 1.168
126 HB3 ASP 15 HB1 ASP 15 -9.846 -2.415 1.048
127 H GLY 16 HN GLY 16 -7.229 -1.610 -0.173
128 HA2 GLY 16 HA2 GLY 16 -5.067 -2.996 1.162
129 HA3 GLY 16 HA1 GLY 16 -5.108 -1.293 0.721
130 H LYS 17 HN LYS 17 -6.204 -3.668 3.061
131 HA LYS 17 HA LYS 17 -7.458 -1.844 4.825
132 HB2 LYS 17 HB2 LYS 17 -7.147 -3.736 6.512
133 HB3 LYS 17 HB1 LYS 17 -8.103 -4.080 5.077
134 HG2 LYS 17 HG2 LYS 17 -6.451 -5.411 4.140
135 HG3 LYS 17 HG1 LYS 17 -5.184 -4.724 5.153
136 HD2 LYS 17 HD2 LYS 17 -5.711 -6.962 5.903
137 HD3 LYS 17 HD1 LYS 17 -6.215 -5.787 7.115
138 HE2 LYS 17 HE2 LYS 17 -8.512 -5.947 6.353
139 HE3 LYS 17 HE1 LYS 17 -8.031 -7.071 5.084
140 HZ1 LYS 17 HZ1 LYS 17 -7.408 -8.673 6.727
141 HZ2 LYS 17 HZ2 LYS 17 -8.988 -8.167 7.058
142 HZ3 LYS 17 HZ3 LYS 17 -7.700 -7.586 7.987
143 H TYR 18 HN TYR 18 -4.154 -2.735 4.351
144 HA TYR 18 HA TYR 18 -3.388 -1.323 6.812
145 HB2 TYR 18 HB2 TYR 18 -2.030 -3.423 5.152
146 HB3 TYR 18 HB1 TYR 18 -1.075 -2.359 6.174
147 HD1 TYR 18 HD1 TYR 18 -4.334 -4.121 6.691
148 HD2 TYR 18 HD2 TYR 18 -0.349 -3.505 8.029
149 HE1 TYR 18 HE1 TYR 18 -4.759 -5.598 8.605
150 HE2 TYR 18 HE2 TYR 18 -0.764 -4.974 9.955
151 HH TYR 18 HH TYR 18 -2.661 -5.783 11.277
152 H LYS 19 HN LYS 19 -1.644 0.211 6.695
153 HA LYS 19 HA LYS 19 -1.244 1.390 4.040
154 HB2 LYS 19 HB2 LYS 19 -3.138 2.490 5.337
155 HB3 LYS 19 HB1 LYS 19 -1.928 3.029 6.484
156 HG2 LYS 19 HG2 LYS 19 -1.662 3.680 3.586
157 HG3 LYS 19 HG1 LYS 19 -2.743 4.609 4.616
158 HD2 LYS 19 HD2 LYS 19 -0.797 4.995 6.145
159 HD3 LYS 19 HD1 LYS 19 0.226 4.253 4.909
160 HE2 LYS 19 HE2 LYS 19 0.313 6.625 4.634
161 HE3 LYS 19 HE1 LYS 19 -0.606 5.932 3.298
162 HZ1 LYS 19 HZ1 LYS 19 -2.642 6.591 4.367
163 HZ2 LYS 19 HZ2 LYS 19 -1.637 7.938 4.198
164 HZ3 LYS 19 HZ3 LYS 19 -1.802 7.191 5.705
165 H CYS 20 HN CYS 20 0.698 2.523 3.795
166 HA CYS 20 HA CYS 20 2.710 1.900 5.849
167 HB2 CYS 20 HB2 CYS 20 3.010 1.099 3.473
168 HB3 CYS 20 HB1 CYS 20 3.167 2.782 2.992
169 HA PRO 21 HA PRO 21 2.157 6.328 6.699
170 HB2 PRO 21 HB2 PRO 21 3.679 6.349 8.962
171 HB3 PRO 21 HB1 PRO 21 1.992 5.825 8.929
172 HG2 PRO 21 HG2 PRO 21 4.489 4.173 8.879
173 HG3 PRO 21 HG1 PRO 21 2.993 3.914 9.797
174 HD2 PRO 21 HD2 PRO 21 3.529 2.559 7.533
175 HD3 PRO 21 HD1 PRO 21 1.877 3.036 7.974
176 H LYS 22 HN LYS 22 4.969 4.562 5.980
177 HA LYS 22 HA LYS 22 6.858 6.700 6.260
178 HB2 LYS 22 HB2 LYS 22 7.106 4.132 4.685
179 HB3 LYS 22 HB1 LYS 22 8.423 5.195 5.156
180 HG2 LYS 22 HG2 LYS 22 6.649 3.758 7.109
181 HG3 LYS 22 HG1 LYS 22 8.192 3.131 6.527
182 HD2 LYS 22 HD2 LYS 22 9.319 5.123 7.414
183 HD3 LYS 22 HD1 LYS 22 7.774 5.716 8.024
184 HE2 LYS 22 HE2 LYS 22 9.091 4.633 9.783
185 HE3 LYS 22 HE1 LYS 22 7.579 3.781 9.477
186 HZ1 LYS 22 HZ1 LYS 22 10.233 2.986 8.391
187 HZ2 LYS 22 HZ2 LYS 22 8.775 2.142 8.196
188 HZ3 LYS 22 HZ3 LYS 22 9.474 2.273 9.730
189 H CYS 23 HN CYS 23 5.530 4.987 3.425
190 HA CYS 23 HA CYS 23 6.424 7.212 1.748
191 HB2 CYS 23 HB2 CYS 23 6.223 5.626 -0.112
192 HB3 CYS 23 HB1 CYS 23 7.196 4.941 1.177
193 H GLY 24 HN GLY 24 3.581 5.411 2.739
194 HA2 GLY 24 HA2 GLY 24 1.485 6.564 2.924
195 HA3 GLY 24 HA1 GLY 24 1.927 7.517 1.516
196 H VAL 25 HN VAL 25 2.528 4.118 1.519
197 HA VAL 25 HA VAL 25 0.670 3.848 -0.701
198 HB VAL 25 HB VAL 25 3.102 3.037 -0.725
199 HG11 VAL 25 HG11 VAL 25 1.872 0.924 1.018
200 HG12 VAL 25 HG12 VAL 25 3.352 1.858 1.272
201 HG13 VAL 25 HG13 VAL 25 3.297 0.617 0.025
202 HG21 VAL 25 HG21 VAL 25 0.901 1.147 -1.547
203 HG22 VAL 25 HG22 VAL 25 2.557 1.122 -2.155
204 HG23 VAL 25 HG23 VAL 25 1.517 2.508 -2.485
205 H ARG 26 HN ARG 26 -0.728 1.993 -0.859
206 HA ARG 26 HA ARG 26 -1.715 1.042 1.746
207 HB2 ARG 26 HB2 ARG 26 -3.135 1.738 -0.809
208 HB3 ARG 26 HB1 ARG 26 -3.862 0.624 0.338
209 HG2 ARG 26 HG2 ARG 26 -2.948 3.368 1.131
210 HG3 ARG 26 HG1 ARG 26 -4.561 3.053 0.487
211 HD2 ARG 26 HD2 ARG 26 -4.903 1.391 2.292
212 HD3 ARG 26 HD1 ARG 26 -3.332 1.834 2.958
213 HE ARG 26 HE ARG 26 -4.611 4.202 2.842
214 HH11 ARG 26 HH11 ARG 26 -5.564 1.081 4.110
215 HH12 ARG 26 HH12 ARG 26 -6.505 1.753 5.405
216 HH21 ARG 26 HH21 ARG 26 -5.859 5.094 4.539
217 HH22 ARG 26 HH22 ARG 26 -6.668 4.033 5.652
218 H TYR 27 HN TYR 27 -1.574 -1.083 2.100
219 HA TYR 27 HA TYR 27 -1.441 -2.867 -0.227
220 HB2 TYR 27 HB2 TYR 27 -0.042 -4.309 1.585
221 HB3 TYR 27 HB1 TYR 27 0.689 -3.299 0.351
222 HD1 TYR 27 HD1 TYR 27 -0.851 -2.615 3.680
223 HD2 TYR 27 HD2 TYR 27 2.545 -2.220 1.162
224 HE1 TYR 27 HE1 TYR 27 0.298 -1.340 5.430
225 HE2 TYR 27 HE2 TYR 27 3.700 -0.947 2.917
226 HH TYR 27 HH TYR 27 2.461 -0.747 6.126
227 H CYS 28 HN CYS 28 -2.132 -4.985 0.108
228 HA CYS 28 HA CYS 28 -4.619 -5.065 1.456
229 HB2 CYS 28 HB2 CYS 28 -4.759 -7.353 0.525
230 HB3 CYS 28 HB1 CYS 28 -4.324 -6.159 -0.690
231 H SER 29 HN SER 29 -1.422 -6.026 2.303
232 HA SER 29 HA SER 29 -1.992 -6.655 4.951
233 HB2 SER 29 HB2 SER 29 -1.660 -9.135 4.909
234 HB3 SER 29 HB1 SER 29 -3.154 -8.629 4.127
235 HG SER 29 HG SER 29 -2.386 -9.191 2.221
236 H LEU 30 HN LEU 30 -0.084 -8.449 5.633
237 HA LEU 30 HA LEU 30 2.357 -7.124 5.260
238 HB2 LEU 30 HB2 LEU 30 1.574 -9.789 6.342
239 HB3 LEU 30 HB1 LEU 30 3.269 -9.430 6.086
240 HG LEU 30 HG LEU 30 1.392 -7.843 7.849
241 HD11 LEU 30 HD11 LEU 30 3.586 -9.781 8.557
242 HD12 LEU 30 HD12 LEU 30 1.856 -10.044 8.772
243 HD13 LEU 30 HD13 LEU 30 2.678 -8.790 9.699
244 HD21 LEU 30 HD21 LEU 30 4.364 -7.620 7.393
245 HD22 LEU 30 HD22 LEU 30 3.457 -6.753 8.632
246 HD23 LEU 30 HD23 LEU 30 3.140 -6.440 6.927
247 H LYS 31 HN LYS 31 0.725 -9.461 3.331
248 HA LYS 31 HA LYS 31 2.750 -10.777 2.012
249 HB2 LYS 31 HB2 LYS 31 0.173 -9.684 0.869
250 HB3 LYS 31 HB1 LYS 31 1.201 -10.855 0.058
251 HG2 LYS 31 HG2 LYS 31 -0.086 -11.309 2.734
252 HG3 LYS 31 HG1 LYS 31 -0.778 -11.827 1.195
253 HD2 LYS 31 HD2 LYS 31 1.419 -13.051 0.806
254 HD3 LYS 31 HD1 LYS 31 1.758 -12.748 2.513
255 HE2 LYS 31 HE2 LYS 31 0.788 -14.942 2.272
256 HE3 LYS 31 HE1 LYS 31 -0.354 -13.884 3.094
257 HZ1 LYS 31 HZ1 LYS 31 -1.489 -13.567 0.945
258 HZ2 LYS 31 HZ2 LYS 31 -1.502 -15.179 1.455
259 HZ3 LYS 31 HZ3 LYS 31 -0.437 -14.688 0.238
260 H CYS 32 HN CYS 32 1.392 -7.599 1.286
261 HA CYS 32 HA CYS 32 3.485 -7.174 -0.711
262 HB2 CYS 32 HB2 CYS 32 0.931 -5.653 -0.155
263 HB3 CYS 32 HB1 CYS 32 2.086 -5.250 -1.421
264 H TYR 33 HN TYR 33 2.659 -6.384 2.484
265 HA TYR 33 HA TYR 33 3.762 -3.816 2.734
266 HB2 TYR 33 HB2 TYR 33 2.370 -5.088 4.460
267 HB3 TYR 33 HB1 TYR 33 3.849 -5.942 4.887
268 HD1 TYR 33 HD1 TYR 33 5.293 -3.045 4.183
269 HD2 TYR 33 HD2 TYR 33 2.410 -4.498 6.948
270 HE1 TYR 33 HE1 TYR 33 5.851 -1.205 5.719
271 HE2 TYR 33 HE2 TYR 33 2.977 -2.679 8.501
272 HH TYR 33 HH TYR 33 4.835 0.013 7.570
273 H LYS 34 HN LYS 34 5.244 -6.963 3.575
274 HA LYS 34 HA LYS 34 7.832 -5.679 3.785
275 HB2 LYS 34 HB2 LYS 34 6.980 -8.541 4.233
276 HB3 LYS 34 HB1 LYS 34 8.612 -7.939 4.492
277 HG2 LYS 34 HG2 LYS 34 7.684 -6.323 6.137
278 HG3 LYS 34 HG1 LYS 34 6.117 -7.111 5.955
279 HD2 LYS 34 HD2 LYS 34 7.042 -9.201 6.760
280 HD3 LYS 34 HD1 LYS 34 8.654 -8.485 6.844
281 HE2 LYS 34 HE2 LYS 34 7.767 -6.839 8.482
282 HE3 LYS 34 HE1 LYS 34 6.237 -7.711 8.470
283 HZ1 LYS 34 HZ1 LYS 34 7.363 -9.657 9.308
284 HZ2 LYS 34 HZ2 LYS 34 7.660 -8.345 10.332
285 HZ3 LYS 34 HZ3 LYS 34 8.855 -8.865 9.256
286 H ASP 35 HN ASP 35 6.938 -5.439 1.270
287 HA ASP 35 HA ASP 35 8.422 -7.399 -0.324
288 HB2 ASP 35 HB2 ASP 35 6.081 -7.067 -0.980
289 HB3 ASP 35 HB1 ASP 35 6.345 -5.334 -1.111
290 H ALA 36 HN ALA 36 9.995 -6.638 -1.793
291 HA ALA 36 HA ALA 36 10.792 -3.827 -1.447
292 HB1 ALA 36 HB1 ALA 36 12.272 -5.266 -0.126
293 HB2 ALA 36 HB2 ALA 36 13.138 -4.484 -1.451
294 HB3 ALA 36 HB3 ALA 36 12.673 -6.181 -1.580
295 H ALA 37 HN ALA 37 9.415 -5.645 -3.540
296 HA ALA 37 HA ALA 37 11.159 -5.100 -5.834
297 HB1 ALA 37 HB1 ALA 37 9.604 -6.532 -7.092
298 HB2 ALA 37 HB2 ALA 37 8.621 -6.725 -5.640
299 HB3 ALA 37 HB3 ALA 37 10.264 -7.362 -5.683
300 H LYS 38 HN LYS 38 7.864 -4.626 -4.674
301 HA LYS 38 HA LYS 38 7.559 -2.397 -6.577
302 HB2 LYS 38 HB2 LYS 38 5.494 -4.156 -5.265
303 HB3 LYS 38 HB1 LYS 38 5.095 -2.693 -6.154
304 HG2 LYS 38 HG2 LYS 38 6.128 -3.663 -8.162
305 HG3 LYS 38 HG1 LYS 38 6.453 -5.143 -7.257
306 HD2 LYS 38 HD2 LYS 38 4.074 -5.450 -6.878
307 HD3 LYS 38 HD1 LYS 38 3.727 -3.947 -7.731
308 HE2 LYS 38 HE2 LYS 38 4.725 -4.909 -9.769
309 HE3 LYS 38 HE1 LYS 38 4.984 -6.421 -8.904
310 HZ1 LYS 38 HZ1 LYS 38 2.334 -5.164 -9.354
311 HZ2 LYS 38 HZ2 LYS 38 2.620 -6.668 -8.635
312 HZ3 LYS 38 HZ3 LYS 38 2.965 -6.434 -10.273
313 H HIS 39 HN HIS 39 7.230 -3.443 -3.231
314 HA HIS 39 HA HIS 39 6.428 -0.817 -2.337
315 HB2 HIS 39 HB2 HIS 39 5.844 -2.995 -1.142
316 HB3 HIS 39 HB1 HIS 39 7.524 -3.053 -0.616
317 HD1 HIS 39 HD1 HIS 39 7.340 -2.491 1.864
318 HD2 HIS 39 HD2 HIS 39 5.177 0.092 -0.565
319 HE1 HIS 39 HE1 HIS 39 6.485 -0.645 3.370
320 H VAL 40 HN VAL 40 7.945 0.654 -2.911
321 HA VAL 40 HA VAL 40 10.756 -0.024 -2.517
322 HB VAL 40 HB VAL 40 9.554 2.327 -3.978
323 HG11 VAL 40 HG11 VAL 40 11.778 2.832 -3.150
324 HG12 VAL 40 HG12 VAL 40 11.817 2.621 -4.900
325 HG13 VAL 40 HG13 VAL 40 12.400 1.336 -3.845
326 HG21 VAL 40 HG21 VAL 40 10.182 1.143 -6.020
327 HG22 VAL 40 HG22 VAL 40 9.044 0.193 -5.063
328 HG23 VAL 40 HG23 VAL 40 10.759 -0.220 -5.061
329 H HIS 41 HN HIS 41 11.821 0.626 -0.860
330 HA HIS 41 HA HIS 41 11.152 3.189 0.392
331 HB2 HIS 41 HB2 HIS 41 11.254 0.510 1.655
332 HB3 HIS 41 HB1 HIS 41 11.995 1.832 2.546
333 HD1 HIS 41 HD1 HIS 41 9.748 0.755 4.004
334 HD2 HIS 41 HD2 HIS 41 9.128 3.474 0.915
335 HE1 HIS 41 HE1 HIS 41 7.545 1.903 4.478
336 H LYS 42 HN LYS 42 12.852 4.225 1.423
337 HA LYS 42 HA LYS 42 15.527 3.116 0.902
338 HB2 LYS 42 HB2 LYS 42 14.760 6.027 1.230
339 HB3 LYS 42 HB1 LYS 42 16.368 5.415 0.878
340 HG2 LYS 42 HG2 LYS 42 13.959 5.256 -0.919
341 HG3 LYS 42 HG1 LYS 42 15.356 6.315 -1.118
342 HD2 LYS 42 HD2 LYS 42 16.789 4.296 -1.322
343 HD3 LYS 42 HD1 LYS 42 15.334 3.301 -1.258
344 HE2 LYS 42 HE2 LYS 42 16.026 3.622 -3.558
345 HE3 LYS 42 HE1 LYS 42 14.488 4.430 -3.265
346 HZ1 LYS 42 HZ1 LYS 42 17.136 5.776 -3.284
347 HZ2 LYS 42 HZ2 LYS 42 15.635 6.528 -3.093
348 HZ3 LYS 42 HZ3 LYS 42 16.029 5.796 -4.563
349 H GLU 43 HN GLU 43 14.208 5.660 2.984
350 HA GLU 43 HA GLU 43 14.222 6.044 5.195
351 HB2 GLU 43 HB2 GLU 43 14.455 3.042 5.348
352 HB3 GLU 43 HB1 GLU 43 14.215 4.078 6.748
353 HG2 GLU 43 HG2 GLU 43 12.143 4.944 5.576
354 HG3 GLU 43 HG1 GLU 43 12.347 3.606 4.447
355 H SER 44 HN SER 44 15.577 6.641 6.765
356 HA SER 44 HA SER 44 17.483 7.059 7.901
357 HB2 SER 44 HB2 SER 44 18.621 4.563 6.627
358 HB3 SER 44 HB1 SER 44 19.229 5.389 8.061
359 HG SER 44 HG SER 44 17.504 3.450 8.011
360 H GLU 45 HN GLU 45 18.471 5.723 4.737
361 HA GLU 45 HA GLU 45 19.842 6.511 3.111
362 HB2 GLU 45 HB2 GLU 45 18.030 8.273 3.095
363 HB3 GLU 45 HB1 GLU 45 19.073 9.261 4.107
364 HG2 GLU 45 HG2 GLU 45 19.277 9.978 1.837
365 HG3 GLU 45 HG1 GLU 45 20.784 9.205 2.327
366 H GLN 46 HN GLN 46 21.396 5.591 4.811
367 HA GLN 46 HA GLN 46 23.308 7.682 5.613
368 HB2 GLN 46 HB2 GLN 46 22.927 4.945 6.849
369 HB3 GLN 46 HB1 GLN 46 24.071 6.169 7.381
370 HG2 GLN 46 HG2 GLN 46 22.213 7.644 7.971
371 HG3 GLN 46 HG1 GLN 46 21.072 6.405 7.450
372 HE21 GLN 46 HE21 GLN 46 20.861 4.514 8.682
373 HE22 GLN 46 HE22 GLN 46 21.389 4.441 10.325
Start of MODEL 7
1 H1 GLY -2 HT1 GLY -2 -16.363 -4.891 -1.965
2 H2 GLY -2 HT2 GLY -2 -16.008 -3.825 -0.702
3 H3 GLY -2 HT3 GLY -2 -15.609 -3.414 -2.291
4 HA2 GLY -2 HA1 GLY -2 -18.348 -3.734 -1.219
5 HA3 GLY -2 HA2 GLY -2 -17.563 -2.208 -1.581
6 HA PRO -1 HA PRO -1 -19.346 -4.320 -5.523
7 HB2 PRO -1 HB2 PRO -1 -22.133 -3.858 -4.889
8 HB3 PRO -1 HB1 PRO -1 -21.334 -5.374 -5.306
9 HG2 PRO -1 HG2 PRO -1 -22.341 -4.822 -2.826
10 HG3 PRO -1 HG1 PRO -1 -21.005 -5.946 -3.120
11 HD2 PRO -1 HD2 PRO -1 -20.929 -3.120 -2.151
12 HD3 PRO -1 HD1 PRO -1 -19.949 -4.516 -1.654
13 H HIS 0 HN HIS 0 -18.566 -2.493 -6.523
14 HA HIS 0 HA HIS 0 -18.613 -0.514 -7.628
15 HB2 HIS 0 HB2 HIS 0 -21.576 -0.964 -7.302
16 HB3 HIS 0 HB1 HIS 0 -20.937 0.449 -8.132
17 HD1 HIS 0 HD1 HIS 0 -20.716 0.171 -10.568
18 HD2 HIS 0 HD2 HIS 0 -20.501 -3.473 -8.582
19 HE1 HIS 0 HE1 HIS 0 -20.554 -1.571 -12.371
20 HE2 HIS 0 HE2 HIS 0 -20.255 -3.748 -11.141
21 H MET 1 HN MET 1 -17.721 -0.102 -5.272
22 HA MET 1 HA MET 1 -19.231 2.174 -4.161
23 HB2 MET 1 HB2 MET 1 -17.516 0.140 -2.737
24 HB3 MET 1 HB1 MET 1 -18.056 1.638 -1.993
25 HG2 MET 1 HG2 MET 1 -20.364 0.967 -2.240
26 HG3 MET 1 HG1 MET 1 -19.870 -0.500 -3.083
27 HE1 MET 1 HE1 MET 1 -18.868 0.312 1.354
28 HE2 MET 1 HE2 MET 1 -19.742 1.457 0.336
29 HE3 MET 1 HE3 MET 1 -18.045 1.109 0.014
30 H VAL 2 HN VAL 2 -15.928 0.824 -4.106
31 HA VAL 2 HA VAL 2 -13.917 1.852 -3.820
32 HB VAL 2 HB VAL 2 -13.211 3.238 -5.739
33 HG11 VAL 2 HG11 VAL 2 -13.567 1.513 -7.452
34 HG12 VAL 2 HG12 VAL 2 -14.799 0.772 -6.431
35 HG13 VAL 2 HG13 VAL 2 -13.121 0.828 -5.889
36 HG21 VAL 2 HG21 VAL 2 -14.744 3.629 -7.609
37 HG22 VAL 2 HG22 VAL 2 -15.261 4.489 -6.157
38 HG23 VAL 2 HG23 VAL 2 -16.081 3.006 -6.643
39 H SER 3 HN SER 3 -15.720 2.978 -2.098
40 HA SER 3 HA SER 3 -14.552 5.630 -1.748
41 HB2 SER 3 HB2 SER 3 -17.518 5.110 -1.399
42 HB3 SER 3 HB1 SER 3 -16.683 6.651 -1.220
43 HG SER 3 HG SER 3 -17.012 5.146 -3.612
44 H SER 4 HN SER 4 -14.219 6.143 0.415
45 HA SER 4 HA SER 4 -13.704 5.704 2.579
46 HB2 SER 4 HB2 SER 4 -16.194 3.980 2.486
47 HB3 SER 4 HB1 SER 4 -15.356 4.488 3.952
48 HG SER 4 HG SER 4 -16.465 6.256 3.848
49 H ALA 5 HN ALA 5 -12.880 3.939 0.306
50 HA ALA 5 HA ALA 5 -11.342 2.073 1.799
51 HB1 ALA 5 HB1 ALA 5 -13.430 0.779 1.725
52 HB2 ALA 5 HB2 ALA 5 -12.167 0.013 0.760
53 HB3 ALA 5 HB3 ALA 5 -13.454 0.923 -0.033
54 H VAL 6 HN VAL 6 -9.999 0.752 0.361
55 HA VAL 6 HA VAL 6 -9.461 2.014 -2.194
56 HB VAL 6 HB VAL 6 -8.398 3.405 -0.387
57 HG11 VAL 6 HG11 VAL 6 -7.839 1.619 1.167
58 HG12 VAL 6 HG12 VAL 6 -6.410 2.557 0.737
59 HG13 VAL 6 HG13 VAL 6 -6.671 0.970 0.015
60 HG21 VAL 6 HG21 VAL 6 -7.563 3.462 -2.640
61 HG22 VAL 6 HG22 VAL 6 -6.540 2.061 -2.325
62 HG23 VAL 6 HG23 VAL 6 -6.232 3.585 -1.492
63 H LYS 7 HN LYS 7 -7.914 0.774 -3.447
64 HA LYS 7 HA LYS 7 -7.797 -2.018 -2.588
65 HB2 LYS 7 HB2 LYS 7 -7.059 -0.837 -5.271
66 HB3 LYS 7 HB1 LYS 7 -7.236 -2.538 -4.881
67 HG2 LYS 7 HG2 LYS 7 -9.488 -0.578 -4.720
68 HG3 LYS 7 HG1 LYS 7 -9.125 -1.561 -6.142
69 HD2 LYS 7 HD2 LYS 7 -9.228 -3.565 -4.579
70 HD3 LYS 7 HD1 LYS 7 -9.963 -2.468 -3.406
71 HE2 LYS 7 HE2 LYS 7 -11.697 -3.603 -4.598
72 HE3 LYS 7 HE1 LYS 7 -11.681 -1.910 -5.079
73 HZ1 LYS 7 HZ1 LYS 7 -10.513 -4.162 -6.618
74 HZ2 LYS 7 HZ2 LYS 7 -10.466 -2.534 -7.079
75 HZ3 LYS 7 HZ3 LYS 7 -11.945 -3.345 -6.991
76 H CYS 8 HN CYS 8 -5.820 -3.232 -2.881
77 HA CYS 8 HA CYS 8 -3.568 -2.030 -1.694
78 HB2 CYS 8 HB2 CYS 8 -4.148 -4.465 -1.684
79 HB3 CYS 8 HB1 CYS 8 -3.664 -4.545 -3.366
80 H GLY 9 HN GLY 9 -2.133 -0.670 -2.583
81 HA2 GLY 9 HA2 GLY 9 -2.156 -0.238 -5.435
82 HA3 GLY 9 HA1 GLY 9 -1.219 0.658 -4.253
83 H ILE 10 HN ILE 10 -0.704 -2.572 -3.713
84 HA ILE 10 HA ILE 10 1.843 -2.405 -5.146
85 HB ILE 10 HB ILE 10 1.081 -4.232 -2.865
86 HG12 ILE 10 HG12 ILE 10 2.568 -1.606 -2.961
87 HG13 ILE 10 HG11 ILE 10 1.096 -1.976 -2.071
88 HG21 ILE 10 HG21 ILE 10 3.772 -3.648 -4.103
89 HG22 ILE 10 HG22 ILE 10 2.850 -5.138 -4.307
90 HG23 ILE 10 HG23 ILE 10 3.473 -4.696 -2.716
91 HD11 ILE 10 HD11 ILE 10 3.213 -1.807 -0.729
92 HD12 ILE 10 HD12 ILE 10 3.706 -3.315 -1.499
93 HD13 ILE 10 HD13 ILE 10 2.260 -3.272 -0.504
94 H CYS 11 HN CYS 11 -0.913 -4.565 -4.593
95 HA CYS 11 HA CYS 11 0.065 -6.177 -6.854
96 HB2 CYS 11 HB2 CYS 11 -0.914 -8.142 -5.888
97 HB3 CYS 11 HB1 CYS 11 0.075 -7.361 -4.659
98 H ARG 12 HN ARG 12 -2.413 -4.219 -5.664
99 HA ARG 12 HA ARG 12 -4.388 -3.484 -6.471
100 HB2 ARG 12 HB2 ARG 12 -3.512 -4.819 -9.035
101 HB3 ARG 12 HB1 ARG 12 -4.808 -3.646 -8.884
102 HG2 ARG 12 HG2 ARG 12 -1.915 -3.098 -8.264
103 HG3 ARG 12 HG1 ARG 12 -2.718 -2.700 -9.783
104 HD2 ARG 12 HD2 ARG 12 -4.270 -1.242 -8.573
105 HD3 ARG 12 HD1 ARG 12 -3.462 -1.641 -7.057
106 HE ARG 12 HE ARG 12 -1.563 -0.668 -8.879
107 HH11 ARG 12 HH11 ARG 12 -4.300 0.493 -7.031
108 HH12 ARG 12 HH12 ARG 12 -3.660 2.097 -6.866
109 HH21 ARG 12 HH21 ARG 12 -0.733 1.442 -8.663
110 HH22 ARG 12 HH22 ARG 12 -1.644 2.637 -7.791
111 H GLY 13 HN GLY 13 -4.123 -6.256 -5.327
112 HA2 GLY 13 HA2 GLY 13 -6.032 -7.841 -6.805
113 HA3 GLY 13 HA1 GLY 13 -5.246 -8.287 -5.299
114 H VAL 14 HN VAL 14 -6.017 -7.124 -3.337
115 HA VAL 14 HA VAL 14 -8.922 -6.694 -3.535
116 HB VAL 14 HB VAL 14 -9.173 -7.571 -1.295
117 HG11 VAL 14 HG11 VAL 14 -9.208 -9.191 -3.111
118 HG12 VAL 14 HG12 VAL 14 -8.510 -9.902 -1.654
119 HG13 VAL 14 HG13 VAL 14 -7.460 -9.394 -2.976
120 HG21 VAL 14 HG21 VAL 14 -7.124 -6.815 -0.275
121 HG22 VAL 14 HG22 VAL 14 -6.175 -7.880 -1.311
122 HG23 VAL 14 HG23 VAL 14 -7.247 -8.566 -0.090
123 H ASP 15 HN ASP 15 -9.462 -5.681 -1.091
124 HA ASP 15 HA ASP 15 -8.795 -2.993 -1.234
125 HB2 ASP 15 HB2 ASP 15 -9.657 -2.912 1.137
126 HB3 ASP 15 HB1 ASP 15 -10.749 -3.635 -0.037
127 H GLY 16 HN GLY 16 -7.351 -1.706 -0.229
128 HA2 GLY 16 HA2 GLY 16 -5.009 -3.017 0.956
129 HA3 GLY 16 HA1 GLY 16 -5.076 -1.367 0.345
130 H LYS 17 HN LYS 17 -6.400 -3.460 2.859
131 HA LYS 17 HA LYS 17 -7.527 -1.390 4.397
132 HB2 LYS 17 HB2 LYS 17 -7.460 -3.150 6.253
133 HB3 LYS 17 HB1 LYS 17 -8.381 -3.522 4.803
134 HG2 LYS 17 HG2 LYS 17 -6.842 -5.079 4.064
135 HG3 LYS 17 HG1 LYS 17 -5.544 -4.417 5.052
136 HD2 LYS 17 HD2 LYS 17 -6.593 -5.239 7.058
137 HD3 LYS 17 HD1 LYS 17 -7.994 -5.795 6.138
138 HE2 LYS 17 HE2 LYS 17 -6.488 -7.331 4.894
139 HE3 LYS 17 HE1 LYS 17 -5.170 -6.831 5.952
140 HZ1 LYS 17 HZ1 LYS 17 -7.672 -8.192 6.784
141 HZ2 LYS 17 HZ2 LYS 17 -6.479 -7.641 7.845
142 HZ3 LYS 17 HZ3 LYS 17 -6.123 -8.870 6.744
143 H TYR 18 HN TYR 18 -4.297 -2.715 4.341
144 HA TYR 18 HA TYR 18 -3.569 -1.198 6.734
145 HB2 TYR 18 HB2 TYR 18 -2.277 -3.403 5.177
146 HB3 TYR 18 HB1 TYR 18 -1.276 -2.349 6.154
147 HD1 TYR 18 HD1 TYR 18 -4.424 -4.320 6.503
148 HD2 TYR 18 HD2 TYR 18 -0.793 -3.034 8.288
149 HE1 TYR 18 HE1 TYR 18 -4.915 -5.700 8.471
150 HE2 TYR 18 HE2 TYR 18 -1.272 -4.409 10.269
151 HH TYR 18 HH TYR 18 -3.179 -5.415 11.394
152 H LYS 19 HN LYS 19 -1.856 0.349 6.682
153 HA LYS 19 HA LYS 19 -1.226 1.387 4.008
154 HB2 LYS 19 HB2 LYS 19 -3.166 2.591 5.156
155 HB3 LYS 19 HB1 LYS 19 -1.998 3.161 6.330
156 HG2 LYS 19 HG2 LYS 19 -1.574 3.665 3.421
157 HG3 LYS 19 HG1 LYS 19 -2.703 4.655 4.340
158 HD2 LYS 19 HD2 LYS 19 -0.810 5.059 5.969
159 HD3 LYS 19 HD1 LYS 19 0.251 4.316 4.765
160 HE2 LYS 19 HE2 LYS 19 0.306 6.705 4.505
161 HE3 LYS 19 HE1 LYS 19 -0.508 5.975 3.124
162 HZ1 LYS 19 HZ1 LYS 19 -2.619 6.603 4.024
163 HZ2 LYS 19 HZ2 LYS 19 -1.634 7.974 3.976
164 HZ3 LYS 19 HZ3 LYS 19 -1.906 7.185 5.443
165 H CYS 20 HN CYS 20 0.734 2.492 3.831
166 HA CYS 20 HA CYS 20 2.638 1.933 5.997
167 HB2 CYS 20 HB2 CYS 20 3.127 1.105 3.693
168 HB3 CYS 20 HB1 CYS 20 3.200 2.777 3.147
169 HA PRO 21 HA PRO 21 2.179 6.359 6.817
170 HB2 PRO 21 HB2 PRO 21 3.602 6.338 9.129
171 HB3 PRO 21 HB1 PRO 21 1.920 5.805 9.030
172 HG2 PRO 21 HG2 PRO 21 4.428 4.161 9.019
173 HG3 PRO 21 HG1 PRO 21 2.923 3.895 9.918
174 HD2 PRO 21 HD2 PRO 21 3.476 2.557 7.648
175 HD3 PRO 21 HD1 PRO 21 1.823 3.037 8.076
176 H LYS 22 HN LYS 22 4.800 4.660 5.737
177 HA LYS 22 HA LYS 22 6.728 6.818 6.174
178 HB2 LYS 22 HB2 LYS 22 7.138 4.109 4.900
179 HB3 LYS 22 HB1 LYS 22 8.398 5.258 5.328
180 HG2 LYS 22 HG2 LYS 22 6.534 3.974 7.306
181 HG3 LYS 22 HG1 LYS 22 8.149 3.375 6.926
182 HD2 LYS 22 HD2 LYS 22 7.631 6.178 7.901
183 HD3 LYS 22 HD1 LYS 22 7.952 4.831 8.992
184 HE2 LYS 22 HE2 LYS 22 9.792 5.667 6.756
185 HE3 LYS 22 HE1 LYS 22 9.958 6.213 8.424
186 HZ1 LYS 22 HZ1 LYS 22 9.949 3.355 7.647
187 HZ2 LYS 22 HZ2 LYS 22 10.377 4.017 9.140
188 HZ3 LYS 22 HZ3 LYS 22 11.366 4.265 7.790
189 H CYS 23 HN CYS 23 5.629 4.815 3.421
190 HA CYS 23 HA CYS 23 6.495 6.951 1.620
191 HB2 CYS 23 HB2 CYS 23 6.096 5.314 -0.202
192 HB3 CYS 23 HB1 CYS 23 7.252 4.738 0.991
193 H GLY 24 HN GLY 24 3.643 5.337 2.776
194 HA2 GLY 24 HA2 GLY 24 1.562 6.495 2.856
195 HA3 GLY 24 HA1 GLY 24 2.028 7.370 1.405
196 H VAL 25 HN VAL 25 2.694 4.017 1.461
197 HA VAL 25 HA VAL 25 0.878 3.652 -0.759
198 HB VAL 25 HB VAL 25 3.296 2.756 -0.602
199 HG11 VAL 25 HG11 VAL 25 3.201 1.656 1.522
200 HG12 VAL 25 HG12 VAL 25 3.451 0.441 0.271
201 HG13 VAL 25 HG13 VAL 25 1.856 0.646 0.996
202 HG21 VAL 25 HG21 VAL 25 1.778 2.253 -2.433
203 HG22 VAL 25 HG22 VAL 25 1.075 0.930 -1.502
204 HG23 VAL 25 HG23 VAL 25 2.760 0.849 -2.020
205 H ARG 26 HN ARG 26 -0.530 1.817 -0.894
206 HA ARG 26 HA ARG 26 -1.682 1.021 1.692
207 HB2 ARG 26 HB2 ARG 26 -2.952 1.647 -0.964
208 HB3 ARG 26 HB1 ARG 26 -3.769 0.611 0.198
209 HG2 ARG 26 HG2 ARG 26 -2.823 3.390 0.839
210 HG3 ARG 26 HG1 ARG 26 -4.444 3.017 0.245
211 HD2 ARG 26 HD2 ARG 26 -4.699 1.445 2.161
212 HD3 ARG 26 HD1 ARG 26 -3.156 2.027 2.782
213 HE ARG 26 HE ARG 26 -4.418 4.311 2.646
214 HH11 ARG 26 HH11 ARG 26 -5.726 1.211 3.603
215 HH12 ARG 26 HH12 ARG 26 -6.871 1.892 4.714
216 HH21 ARG 26 HH21 ARG 26 -5.934 5.216 4.105
217 HH22 ARG 26 HH22 ARG 26 -6.995 4.174 4.996
218 H TYR 27 HN TYR 27 -1.651 -1.103 2.124
219 HA TYR 27 HA TYR 27 -1.416 -2.942 -0.148
220 HB2 TYR 27 HB2 TYR 27 -0.069 -4.348 1.728
221 HB3 TYR 27 HB1 TYR 27 0.696 -3.351 0.505
222 HD1 TYR 27 HD1 TYR 27 -0.901 -2.701 3.826
223 HD2 TYR 27 HD2 TYR 27 2.489 -2.195 1.314
224 HE1 TYR 27 HE1 TYR 27 0.212 -1.380 5.580
225 HE2 TYR 27 HE2 TYR 27 3.608 -0.898 3.073
226 HH TYR 27 HH TYR 27 2.372 -0.750 6.282
227 H CYS 28 HN CYS 28 -2.252 -4.937 0.085
228 HA CYS 28 HA CYS 28 -4.684 -5.038 1.509
229 HB2 CYS 28 HB2 CYS 28 -4.918 -7.263 0.485
230 HB3 CYS 28 HB1 CYS 28 -4.438 -6.052 -0.693
231 H SER 29 HN SER 29 -1.477 -6.114 2.238
232 HA SER 29 HA SER 29 -2.154 -6.856 4.868
233 HB2 SER 29 HB2 SER 29 -1.684 -9.288 4.713
234 HB3 SER 29 HB1 SER 29 -3.115 -8.835 3.799
235 HG SER 29 HG SER 29 -2.182 -9.546 2.073
236 H LEU 30 HN LEU 30 -0.186 -8.622 5.523
237 HA LEU 30 HA LEU 30 2.143 -6.997 5.485
238 HB2 LEU 30 HB2 LEU 30 1.442 -8.541 7.338
239 HB3 LEU 30 HB1 LEU 30 1.890 -9.890 6.313
240 HG LEU 30 HG LEU 30 4.231 -8.954 6.264
241 HD11 LEU 30 HD11 LEU 30 3.147 -7.218 8.476
242 HD12 LEU 30 HD12 LEU 30 3.704 -6.663 6.898
243 HD13 LEU 30 HD13 LEU 30 4.846 -7.383 8.033
244 HD21 LEU 30 HD21 LEU 30 3.593 -10.838 7.687
245 HD22 LEU 30 HD22 LEU 30 3.109 -9.716 8.958
246 HD23 LEU 30 HD23 LEU 30 4.801 -9.819 8.471
247 H LYS 31 HN LYS 31 0.889 -9.427 3.420
248 HA LYS 31 HA LYS 31 3.273 -10.543 2.413
249 HB2 LYS 31 HB2 LYS 31 0.596 -10.189 1.054
250 HB3 LYS 31 HB1 LYS 31 1.899 -11.210 0.460
251 HG2 LYS 31 HG2 LYS 31 0.432 -11.557 3.068
252 HG3 LYS 31 HG1 LYS 31 0.198 -12.518 1.606
253 HD2 LYS 31 HD2 LYS 31 2.525 -13.279 1.743
254 HD3 LYS 31 HD1 LYS 31 2.749 -12.326 3.209
255 HE2 LYS 31 HE2 LYS 31 0.997 -13.653 4.314
256 HE3 LYS 31 HE1 LYS 31 0.827 -14.623 2.852
257 HZ1 LYS 31 HZ1 LYS 31 2.229 -15.716 4.486
258 HZ2 LYS 31 HZ2 LYS 31 3.288 -14.397 4.498
259 HZ3 LYS 31 HZ3 LYS 31 3.120 -15.333 3.100
260 H CYS 32 HN CYS 32 1.402 -7.721 1.411
261 HA CYS 32 HA CYS 32 3.394 -7.077 -0.608
262 HB2 CYS 32 HB2 CYS 32 0.776 -5.765 0.140
263 HB3 CYS 32 HB1 CYS 32 1.852 -5.162 -1.117
264 H TYR 33 HN TYR 33 2.522 -6.244 2.615
265 HA TYR 33 HA TYR 33 3.693 -3.726 2.900
266 HB2 TYR 33 HB2 TYR 33 2.306 -5.053 4.594
267 HB3 TYR 33 HB1 TYR 33 3.791 -5.906 4.989
268 HD1 TYR 33 HD1 TYR 33 5.244 -2.997 4.396
269 HD2 TYR 33 HD2 TYR 33 2.311 -4.529 7.066
270 HE1 TYR 33 HE1 TYR 33 5.786 -1.214 6.010
271 HE2 TYR 33 HE2 TYR 33 2.857 -2.768 8.689
272 HH TYR 33 HH TYR 33 4.960 -0.111 7.877
273 H LYS 34 HN LYS 34 5.132 -6.907 3.619
274 HA LYS 34 HA LYS 34 7.766 -5.700 3.737
275 HB2 LYS 34 HB2 LYS 34 6.874 -8.549 4.187
276 HB3 LYS 34 HB1 LYS 34 8.518 -7.965 4.402
277 HG2 LYS 34 HG2 LYS 34 7.684 -6.389 6.119
278 HG3 LYS 34 HG1 LYS 34 6.085 -7.110 5.952
279 HD2 LYS 34 HD2 LYS 34 7.270 -8.044 7.870
280 HD3 LYS 34 HD1 LYS 34 6.981 -9.277 6.643
281 HE2 LYS 34 HE2 LYS 34 9.245 -9.415 7.606
282 HE3 LYS 34 HE1 LYS 34 9.268 -9.098 5.874
283 HZ1 LYS 34 HZ1 LYS 34 9.691 -6.774 6.329
284 HZ2 LYS 34 HZ2 LYS 34 10.864 -7.726 7.078
285 HZ3 LYS 34 HZ3 LYS 34 9.615 -7.049 7.993
286 H ASP 35 HN ASP 35 6.751 -5.441 1.226
287 HA ASP 35 HA ASP 35 8.305 -7.367 -0.342
288 HB2 ASP 35 HB2 ASP 35 6.001 -7.195 -1.095
289 HB3 ASP 35 HB1 ASP 35 6.115 -5.440 -1.157
290 H ALA 36 HN ALA 36 9.966 -6.623 -1.622
291 HA ALA 36 HA ALA 36 10.583 -3.748 -1.444
292 HB1 ALA 36 HB1 ALA 36 12.572 -6.010 -1.271
293 HB2 ALA 36 HB2 ALA 36 12.032 -5.007 0.075
294 HB3 ALA 36 HB3 ALA 36 12.953 -4.290 -1.247
295 H ALA 37 HN ALA 37 9.292 -5.453 -3.513
296 HA ALA 37 HA ALA 37 11.197 -5.019 -5.721
297 HB1 ALA 37 HB1 ALA 37 8.817 -6.869 -5.573
298 HB2 ALA 37 HB2 ALA 37 10.514 -7.345 -5.509
299 HB3 ALA 37 HB3 ALA 37 9.849 -6.649 -6.986
300 H LYS 38 HN LYS 38 7.825 -4.756 -4.723
301 HA LYS 38 HA LYS 38 7.408 -2.669 -6.755
302 HB2 LYS 38 HB2 LYS 38 5.415 -4.347 -5.225
303 HB3 LYS 38 HB1 LYS 38 4.989 -3.076 -6.365
304 HG2 LYS 38 HG2 LYS 38 5.972 -4.297 -8.180
305 HG3 LYS 38 HG1 LYS 38 6.599 -5.518 -7.072
306 HD2 LYS 38 HD2 LYS 38 4.314 -6.130 -6.464
307 HD3 LYS 38 HD1 LYS 38 3.688 -4.914 -7.578
308 HE2 LYS 38 HE2 LYS 38 3.626 -7.150 -8.568
309 HE3 LYS 38 HE1 LYS 38 4.712 -6.082 -9.453
310 HZ1 LYS 38 HZ1 LYS 38 6.587 -7.099 -8.359
311 HZ2 LYS 38 HZ2 LYS 38 5.653 -8.297 -9.103
312 HZ3 LYS 38 HZ3 LYS 38 5.569 -8.080 -7.430
313 H HIS 39 HN HIS 39 7.107 -3.497 -3.341
314 HA HIS 39 HA HIS 39 6.392 -0.756 -2.661
315 HB2 HIS 39 HB2 HIS 39 5.388 -2.636 -1.420
316 HB3 HIS 39 HB1 HIS 39 6.984 -3.137 -0.887
317 HD1 HIS 39 HD1 HIS 39 6.584 -2.756 1.612
318 HD2 HIS 39 HD2 HIS 39 5.826 0.595 -0.726
319 HE1 HIS 39 HE1 HIS 39 6.294 -0.827 3.209
320 H VAL 40 HN VAL 40 8.245 0.354 -3.386
321 HA VAL 40 HA VAL 40 10.766 -0.469 -2.151
322 HB VAL 40 HB VAL 40 10.403 1.401 -4.491
323 HG11 VAL 40 HG11 VAL 40 12.473 1.783 -3.267
324 HG12 VAL 40 HG12 VAL 40 12.806 1.049 -4.835
325 HG13 VAL 40 HG13 VAL 40 12.867 0.068 -3.372
326 HG21 VAL 40 HG21 VAL 40 9.656 -0.841 -5.072
327 HG22 VAL 40 HG22 VAL 40 11.162 -1.518 -4.455
328 HG23 VAL 40 HG23 VAL 40 11.183 -0.472 -5.873
329 H HIS 41 HN HIS 41 11.520 0.537 -0.552
330 HA HIS 41 HA HIS 41 10.717 3.289 0.021
331 HB2 HIS 41 HB2 HIS 41 11.616 0.980 1.647
332 HB3 HIS 41 HB1 HIS 41 12.164 2.565 2.180
333 HD1 HIS 41 HD1 HIS 41 10.375 1.318 4.141
334 HD2 HIS 41 HD2 HIS 41 8.904 3.390 0.863
335 HE1 HIS 41 HE1 HIS 41 8.087 2.168 4.806
336 H LYS 42 HN LYS 42 12.419 4.678 0.976
337 HA LYS 42 HA LYS 42 14.879 4.501 -0.589
338 HB2 LYS 42 HB2 LYS 42 13.835 6.713 1.190
339 HB3 LYS 42 HB1 LYS 42 15.257 6.812 0.162
340 HG2 LYS 42 HG2 LYS 42 13.893 6.604 -1.818
341 HG3 LYS 42 HG1 LYS 42 12.449 6.369 -0.831
342 HD2 LYS 42 HD2 LYS 42 14.166 8.851 -0.869
343 HD3 LYS 42 HD1 LYS 42 12.615 8.667 -1.690
344 HE2 LYS 42 HE2 LYS 42 11.521 8.297 0.470
345 HE3 LYS 42 HE1 LYS 42 13.069 8.480 1.287
346 HZ1 LYS 42 HZ1 LYS 42 11.701 10.578 -0.304
347 HZ2 LYS 42 HZ2 LYS 42 13.188 10.753 0.481
348 HZ3 LYS 42 HZ3 LYS 42 11.780 10.511 1.384
349 H GLU 43 HN GLU 43 14.002 2.987 1.939
350 HA GLU 43 HA GLU 43 16.175 3.665 3.765
351 HB2 GLU 43 HB2 GLU 43 14.074 1.508 4.029
352 HB3 GLU 43 HB1 GLU 43 15.152 2.086 5.290
353 HG2 GLU 43 HG2 GLU 43 14.053 4.277 5.205
354 HG3 GLU 43 HG1 GLU 43 12.951 3.661 3.974
355 H SER 44 HN SER 44 16.044 2.123 1.000
356 HA SER 44 HA SER 44 17.149 -0.433 1.600
357 HB2 SER 44 HB2 SER 44 17.159 1.104 -1.008
358 HB3 SER 44 HB1 SER 44 17.452 -0.625 -0.813
359 HG SER 44 HG SER 44 15.339 -0.475 -1.344
360 H GLU 45 HN GLU 45 18.933 -0.014 2.929
361 HA GLU 45 HA GLU 45 21.132 1.591 2.043
362 HB2 GLU 45 HB2 GLU 45 21.037 -0.546 4.188
363 HB3 GLU 45 HB1 GLU 45 22.313 0.644 3.974
364 HG2 GLU 45 HG2 GLU 45 20.748 2.437 4.475
365 HG3 GLU 45 HG1 GLU 45 19.446 1.261 4.654
366 H GLN 46 HN GLN 46 21.312 0.677 -0.080
367 HA GLN 46 HA GLN 46 23.178 -1.525 -0.208
368 HB2 GLN 46 HB2 GLN 46 21.075 -2.736 -0.273
369 HB3 GLN 46 HB1 GLN 46 20.458 -1.669 -1.525
370 HG2 GLN 46 HG2 GLN 46 22.259 -2.495 -3.025
371 HG3 GLN 46 HG1 GLN 46 22.702 -3.657 -1.774
372 HE21 GLN 46 HE21 GLN 46 21.381 -5.412 -1.392
373 HE22 GLN 46 HE22 GLN 46 20.095 -5.866 -2.455
Start of MODEL 8
1 H1 GLY -2 HT1 GLY -2 -9.935 1.605 14.813
2 H2 GLY -2 HT2 GLY -2 -8.985 0.924 13.595
3 H3 GLY -2 HT3 GLY -2 -9.345 0.031 14.985
4 HA2 GLY -2 HA1 GLY -2 -10.697 -0.728 13.156
5 HA3 GLY -2 HA2 GLY -2 -11.688 0.015 14.405
6 HA PRO -1 HA PRO -1 -11.819 2.345 10.166
7 HB2 PRO -1 HB2 PRO -1 -13.478 0.841 8.634
8 HB3 PRO -1 HB1 PRO -1 -11.720 0.672 8.593
9 HG2 PRO -1 HG2 PRO -1 -13.752 -0.996 10.021
10 HG3 PRO -1 HG1 PRO -1 -12.307 -1.510 9.128
11 HD2 PRO -1 HD2 PRO -1 -12.389 -1.349 11.838
12 HD3 PRO -1 HD1 PRO -1 -10.907 -1.081 10.900
13 H HIS 0 HN HIS 0 -13.389 3.839 9.947
14 HA HIS 0 HA HIS 0 -15.889 3.387 11.428
15 HB2 HIS 0 HB2 HIS 0 -14.494 5.959 10.661
16 HB3 HIS 0 HB1 HIS 0 -16.072 5.884 11.436
17 HD1 HIS 0 HD1 HIS 0 -13.361 7.159 12.609
18 HD2 HIS 0 HD2 HIS 0 -15.100 3.536 13.673
19 HE1 HIS 0 HE1 HIS 0 -12.533 6.664 14.927
20 HE2 HIS 0 HE2 HIS 0 -13.729 4.558 15.610
21 H MET 1 HN MET 1 -14.576 3.859 8.316
22 HA MET 1 HA MET 1 -17.289 4.140 7.220
23 HB2 MET 1 HB2 MET 1 -14.746 5.382 6.162
24 HB3 MET 1 HB1 MET 1 -16.278 5.370 5.302
25 HG2 MET 1 HG2 MET 1 -17.287 6.639 7.163
26 HG3 MET 1 HG1 MET 1 -15.701 6.719 7.926
27 HE1 MET 1 HE1 MET 1 -16.555 7.018 4.036
28 HE2 MET 1 HE2 MET 1 -16.835 8.758 3.947
29 HE3 MET 1 HE3 MET 1 -17.905 7.741 4.908
30 H VAL 2 HN VAL 2 -17.867 2.675 5.756
31 HA VAL 2 HA VAL 2 -15.905 0.689 4.903
32 HB VAL 2 HB VAL 2 -18.110 -0.059 5.779
33 HG11 VAL 2 HG11 VAL 2 -19.208 1.230 3.287
34 HG12 VAL 2 HG12 VAL 2 -19.520 1.720 4.951
35 HG13 VAL 2 HG13 VAL 2 -20.108 0.165 4.366
36 HG21 VAL 2 HG21 VAL 2 -18.573 -1.709 4.027
37 HG22 VAL 2 HG22 VAL 2 -16.842 -1.518 4.305
38 HG23 VAL 2 HG23 VAL 2 -17.596 -0.775 2.896
39 H SER 3 HN SER 3 -17.571 3.448 3.773
40 HA SER 3 HA SER 3 -17.044 2.898 0.967
41 HB2 SER 3 HB2 SER 3 -19.156 4.013 1.632
42 HB3 SER 3 HB1 SER 3 -18.225 5.353 2.298
43 HG SER 3 HG SER 3 -18.270 6.157 0.376
44 H SER 4 HN SER 4 -16.015 4.792 -0.272
45 HA SER 4 HA SER 4 -14.085 5.842 -0.815
46 HB2 SER 4 HB2 SER 4 -14.944 7.520 0.807
47 HB3 SER 4 HB1 SER 4 -14.068 6.696 2.095
48 HG SER 4 HG SER 4 -12.158 7.070 0.656
49 H ALA 5 HN ALA 5 -13.825 3.203 -0.404
50 HA ALA 5 HA ALA 5 -11.549 2.741 1.356
51 HB1 ALA 5 HB1 ALA 5 -13.364 1.113 1.463
52 HB2 ALA 5 HB2 ALA 5 -11.897 0.358 0.834
53 HB3 ALA 5 HB3 ALA 5 -13.203 0.802 -0.264
54 H VAL 6 HN VAL 6 -10.043 0.973 0.237
55 HA VAL 6 HA VAL 6 -9.167 2.174 -2.272
56 HB VAL 6 HB VAL 6 -8.229 3.353 -0.213
57 HG11 VAL 6 HG11 VAL 6 -6.599 0.828 -0.037
58 HG12 VAL 6 HG12 VAL 6 -7.786 1.388 1.140
59 HG13 VAL 6 HG13 VAL 6 -6.311 2.313 0.870
60 HG21 VAL 6 HG21 VAL 6 -6.365 2.182 -2.252
61 HG22 VAL 6 HG22 VAL 6 -6.017 3.574 -1.225
62 HG23 VAL 6 HG23 VAL 6 -7.325 3.653 -2.405
63 H LYS 7 HN LYS 7 -7.659 0.888 -3.431
64 HA LYS 7 HA LYS 7 -7.709 -1.930 -2.639
65 HB2 LYS 7 HB2 LYS 7 -6.976 -0.714 -5.310
66 HB3 LYS 7 HB1 LYS 7 -7.149 -2.425 -4.948
67 HG2 LYS 7 HG2 LYS 7 -9.375 -0.433 -4.775
68 HG3 LYS 7 HG1 LYS 7 -9.076 -1.517 -6.138
69 HD2 LYS 7 HD2 LYS 7 -9.221 -3.433 -4.542
70 HD3 LYS 7 HD1 LYS 7 -9.734 -2.286 -3.302
71 HE2 LYS 7 HE2 LYS 7 -11.662 -3.322 -4.260
72 HE3 LYS 7 HE1 LYS 7 -11.608 -1.632 -4.749
73 HZ1 LYS 7 HZ1 LYS 7 -10.688 -3.898 -6.424
74 HZ2 LYS 7 HZ2 LYS 7 -10.777 -2.275 -6.887
75 HZ3 LYS 7 HZ3 LYS 7 -12.195 -3.142 -6.575
76 H CYS 8 HN CYS 8 -5.785 -3.210 -2.894
77 HA CYS 8 HA CYS 8 -3.529 -2.068 -1.665
78 HB2 CYS 8 HB2 CYS 8 -4.164 -4.496 -1.657
79 HB3 CYS 8 HB1 CYS 8 -3.627 -4.592 -3.325
80 H GLY 9 HN GLY 9 -2.158 -0.657 -2.550
81 HA2 GLY 9 HA2 GLY 9 -2.092 -0.261 -5.390
82 HA3 GLY 9 HA1 GLY 9 -1.167 0.630 -4.194
83 H ILE 10 HN ILE 10 -0.723 -2.645 -3.717
84 HA ILE 10 HA ILE 10 1.853 -2.488 -5.118
85 HB ILE 10 HB ILE 10 1.153 -4.257 -2.782
86 HG12 ILE 10 HG12 ILE 10 2.469 -1.539 -2.904
87 HG13 ILE 10 HG11 ILE 10 0.999 -1.980 -2.043
88 HG21 ILE 10 HG21 ILE 10 3.002 -5.075 -4.162
89 HG22 ILE 10 HG22 ILE 10 3.578 -4.532 -2.586
90 HG23 ILE 10 HG23 ILE 10 3.810 -3.514 -4.007
91 HD11 ILE 10 HD11 ILE 10 3.033 -1.660 -0.630
92 HD12 ILE 10 HD12 ILE 10 3.689 -3.111 -1.383
93 HD13 ILE 10 HD13 ILE 10 2.215 -3.208 -0.435
94 H CYS 11 HN CYS 11 -0.992 -4.516 -4.619
95 HA CYS 11 HA CYS 11 0.027 -6.223 -6.787
96 HB2 CYS 11 HB2 CYS 11 -0.962 -8.185 -5.819
97 HB3 CYS 11 HB1 CYS 11 0.044 -7.412 -4.600
98 H ARG 12 HN ARG 12 -2.434 -4.234 -5.649
99 HA ARG 12 HA ARG 12 -4.418 -3.547 -6.430
100 HB2 ARG 12 HB2 ARG 12 -3.084 -4.521 -8.932
101 HB3 ARG 12 HB1 ARG 12 -4.706 -3.843 -8.977
102 HG2 ARG 12 HG2 ARG 12 -3.249 -2.067 -9.477
103 HG3 ARG 12 HG1 ARG 12 -3.771 -1.824 -7.813
104 HD2 ARG 12 HD2 ARG 12 -1.399 -1.370 -8.047
105 HD3 ARG 12 HD1 ARG 12 -1.676 -2.760 -7.002
106 HE ARG 12 HE ARG 12 -1.274 -3.895 -9.420
107 HH11 ARG 12 HH11 ARG 12 0.545 -1.501 -7.612
108 HH12 ARG 12 HH12 ARG 12 2.080 -2.032 -8.219
109 HH21 ARG 12 HH21 ARG 12 0.740 -4.578 -10.223
110 HH22 ARG 12 HH22 ARG 12 2.190 -3.776 -9.707
111 H GLY 13 HN GLY 13 -4.299 -6.221 -5.322
112 HA2 GLY 13 HA2 GLY 13 -6.243 -7.723 -6.886
113 HA3 GLY 13 HA1 GLY 13 -5.445 -8.265 -5.418
114 H VAL 14 HN VAL 14 -6.111 -7.096 -3.392
115 HA VAL 14 HA VAL 14 -9.016 -6.636 -3.487
116 HB VAL 14 HB VAL 14 -9.164 -7.472 -1.218
117 HG11 VAL 14 HG11 VAL 14 -8.592 -9.801 -1.581
118 HG12 VAL 14 HG12 VAL 14 -7.523 -9.349 -2.906
119 HG13 VAL 14 HG13 VAL 14 -9.263 -9.099 -3.055
120 HG21 VAL 14 HG21 VAL 14 -6.180 -7.869 -1.368
121 HG22 VAL 14 HG22 VAL 14 -7.224 -8.421 -0.060
122 HG23 VAL 14 HG23 VAL 14 -7.025 -6.695 -0.363
123 H ASP 15 HN ASP 15 -9.456 -5.572 -1.022
124 HA ASP 15 HA ASP 15 -8.707 -2.881 -1.333
125 HB2 ASP 15 HB2 ASP 15 -9.794 -2.514 0.831
126 HB3 ASP 15 HB1 ASP 15 -10.778 -3.541 -0.205
127 H GLY 16 HN GLY 16 -7.273 -1.605 -0.258
128 HA2 GLY 16 HA2 GLY 16 -5.009 -2.960 0.984
129 HA3 GLY 16 HA1 GLY 16 -5.068 -1.278 0.474
130 H LYS 17 HN LYS 17 -6.364 -3.528 2.850
131 HA LYS 17 HA LYS 17 -7.556 -1.648 4.535
132 HB2 LYS 17 HB2 LYS 17 -7.181 -3.519 6.294
133 HB3 LYS 17 HB1 LYS 17 -8.266 -3.793 4.937
134 HG2 LYS 17 HG2 LYS 17 -6.687 -5.133 3.818
135 HG3 LYS 17 HG1 LYS 17 -5.382 -4.632 4.891
136 HD2 LYS 17 HD2 LYS 17 -6.123 -6.867 5.467
137 HD3 LYS 17 HD1 LYS 17 -6.528 -5.738 6.759
138 HE2 LYS 17 HE2 LYS 17 -8.822 -5.604 5.916
139 HE3 LYS 17 HE1 LYS 17 -8.418 -6.750 4.641
140 HZ1 LYS 17 HZ1 LYS 17 -9.530 -7.818 6.509
141 HZ2 LYS 17 HZ2 LYS 17 -8.302 -7.315 7.553
142 HZ3 LYS 17 HZ3 LYS 17 -7.961 -8.415 6.317
143 H TYR 18 HN TYR 18 -4.238 -2.744 4.365
144 HA TYR 18 HA TYR 18 -3.593 -1.187 6.762
145 HB2 TYR 18 HB2 TYR 18 -2.174 -3.379 5.284
146 HB3 TYR 18 HB1 TYR 18 -1.278 -2.307 6.358
147 HD1 TYR 18 HD1 TYR 18 -4.408 -4.329 6.387
148 HD2 TYR 18 HD2 TYR 18 -0.984 -3.027 8.533
149 HE1 TYR 18 HE1 TYR 18 -5.086 -5.725 8.280
150 HE2 TYR 18 HE2 TYR 18 -1.651 -4.422 10.446
151 HH TYR 18 HH TYR 18 -3.606 -5.476 11.370
152 H LYS 19 HN LYS 19 -1.655 0.204 6.681
153 HA LYS 19 HA LYS 19 -1.131 1.321 4.032
154 HB2 LYS 19 HB2 LYS 19 -3.139 2.446 5.140
155 HB3 LYS 19 HB1 LYS 19 -2.008 3.052 6.338
156 HG2 LYS 19 HG2 LYS 19 -1.474 3.589 3.460
157 HG3 LYS 19 HG1 LYS 19 -2.718 4.514 4.293
158 HD2 LYS 19 HD2 LYS 19 -0.948 4.969 6.071
159 HD3 LYS 19 HD1 LYS 19 0.214 4.352 4.891
160 HE2 LYS 19 HE2 LYS 19 -0.423 6.061 3.312
161 HE3 LYS 19 HE1 LYS 19 -1.694 6.631 4.392
162 HZ1 LYS 19 HZ1 LYS 19 1.223 6.712 4.954
163 HZ2 LYS 19 HZ2 LYS 19 0.004 7.247 5.998
164 HZ3 LYS 19 HZ3 LYS 19 0.259 8.034 4.527
165 H CYS 20 HN CYS 20 0.816 2.413 3.868
166 HA CYS 20 HA CYS 20 2.652 1.954 6.100
167 HB2 CYS 20 HB2 CYS 20 3.333 1.129 3.898
168 HB3 CYS 20 HB1 CYS 20 3.237 2.763 3.246
169 HA PRO 21 HA PRO 21 2.241 6.328 7.039
170 HB2 PRO 21 HB2 PRO 21 3.898 6.243 9.202
171 HB3 PRO 21 HB1 PRO 21 2.199 5.768 9.256
172 HG2 PRO 21 HG2 PRO 21 4.640 4.052 9.011
173 HG3 PRO 21 HG1 PRO 21 3.193 3.804 10.007
174 HD2 PRO 21 HD2 PRO 21 3.555 2.508 7.672
175 HD3 PRO 21 HD1 PRO 21 1.948 3.009 8.225
176 H LYS 22 HN LYS 22 4.910 4.597 5.895
177 HA LYS 22 HA LYS 22 6.729 6.866 6.154
178 HB2 LYS 22 HB2 LYS 22 7.289 4.155 4.954
179 HB3 LYS 22 HB1 LYS 22 8.470 5.381 5.393
180 HG2 LYS 22 HG2 LYS 22 6.702 3.847 7.281
181 HG3 LYS 22 HG1 LYS 22 8.431 3.610 7.036
182 HD2 LYS 22 HD2 LYS 22 7.140 6.128 8.093
183 HD3 LYS 22 HD1 LYS 22 7.939 4.902 9.075
184 HE2 LYS 22 HE2 LYS 22 10.042 5.335 7.885
185 HE3 LYS 22 HE1 LYS 22 9.236 6.577 6.928
186 HZ1 LYS 22 HZ1 LYS 22 9.603 6.618 9.875
187 HZ2 LYS 22 HZ2 LYS 22 8.787 7.797 8.978
188 HZ3 LYS 22 HZ3 LYS 22 10.447 7.563 8.753
189 H CYS 23 HN CYS 23 5.576 4.736 3.501
190 HA CYS 23 HA CYS 23 6.433 6.834 1.647
191 HB2 CYS 23 HB2 CYS 23 6.095 5.142 -0.154
192 HB3 CYS 23 HB1 CYS 23 7.311 4.697 1.029
193 H GLY 24 HN GLY 24 3.620 5.365 2.944
194 HA2 GLY 24 HA2 GLY 24 1.514 6.399 2.916
195 HA3 GLY 24 HA1 GLY 24 2.008 7.319 1.499
196 H VAL 25 HN VAL 25 2.634 3.945 1.611
197 HA VAL 25 HA VAL 25 0.875 3.593 -0.662
198 HB VAL 25 HB VAL 25 3.303 2.732 -0.497
199 HG11 VAL 25 HG11 VAL 25 3.203 1.608 1.617
200 HG12 VAL 25 HG12 VAL 25 3.482 0.411 0.354
201 HG13 VAL 25 HG13 VAL 25 1.877 0.586 1.065
202 HG21 VAL 25 HG21 VAL 25 1.844 2.227 -2.350
203 HG22 VAL 25 HG22 VAL 25 1.087 0.926 -1.433
204 HG23 VAL 25 HG23 VAL 25 2.780 0.800 -1.910
205 H ARG 26 HN ARG 26 -0.524 1.787 -0.807
206 HA ARG 26 HA ARG 26 -1.700 0.982 1.762
207 HB2 ARG 26 HB2 ARG 26 -2.918 1.607 -0.915
208 HB3 ARG 26 HB1 ARG 26 -3.756 0.557 0.218
209 HG2 ARG 26 HG2 ARG 26 -2.843 3.338 0.899
210 HG3 ARG 26 HG1 ARG 26 -4.449 2.955 0.273
211 HD2 ARG 26 HD2 ARG 26 -4.682 1.336 2.183
212 HD3 ARG 26 HD1 ARG 26 -3.197 2.016 2.842
213 HE ARG 26 HE ARG 26 -4.804 4.180 2.429
214 HH11 ARG 26 HH11 ARG 26 -5.164 1.150 4.134
215 HH12 ARG 26 HH12 ARG 26 -6.192 1.811 5.366
216 HH21 ARG 26 HH21 ARG 26 -6.181 5.061 4.035
217 HH22 ARG 26 HH22 ARG 26 -6.780 4.039 5.304
218 H TYR 27 HN TYR 27 -1.686 -1.149 2.194
219 HA TYR 27 HA TYR 27 -1.426 -2.986 -0.076
220 HB2 TYR 27 HB2 TYR 27 -0.084 -4.380 1.830
221 HB3 TYR 27 HB1 TYR 27 0.677 -3.414 0.581
222 HD1 TYR 27 HD1 TYR 27 -0.857 -2.759 3.933
223 HD2 TYR 27 HD2 TYR 27 2.441 -2.173 1.321
224 HE1 TYR 27 HE1 TYR 27 0.281 -1.406 5.654
225 HE2 TYR 27 HE2 TYR 27 3.580 -0.845 3.040
226 HH TYR 27 HH TYR 27 2.479 -0.737 6.280
227 H CYS 28 HN CYS 28 -2.123 -5.087 0.272
228 HA CYS 28 HA CYS 28 -4.615 -5.148 1.654
229 HB2 CYS 28 HB2 CYS 28 -4.854 -7.360 0.586
230 HB3 CYS 28 HB1 CYS 28 -4.379 -6.124 -0.570
231 H SER 29 HN SER 29 -1.397 -6.205 2.334
232 HA SER 29 HA SER 29 -1.969 -6.966 4.974
233 HB2 SER 29 HB2 SER 29 -1.553 -9.392 4.841
234 HB3 SER 29 HB1 SER 29 -2.968 -8.959 3.888
235 HG SER 29 HG SER 29 -1.995 -9.821 2.253
236 H LEU 30 HN LEU 30 0.052 -8.705 5.569
237 HA LEU 30 HA LEU 30 2.385 -7.144 5.353
238 HB2 LEU 30 HB2 LEU 30 1.882 -9.951 6.271
239 HB3 LEU 30 HB1 LEU 30 3.507 -9.304 6.185
240 HG LEU 30 HG LEU 30 1.260 -8.197 7.876
241 HD11 LEU 30 HD11 LEU 30 2.115 -10.333 8.691
242 HD12 LEU 30 HD12 LEU 30 2.592 -9.007 9.753
243 HD13 LEU 30 HD13 LEU 30 3.760 -9.701 8.630
244 HD21 LEU 30 HD21 LEU 30 4.156 -7.377 7.663
245 HD22 LEU 30 HD22 LEU 30 3.000 -6.767 8.846
246 HD23 LEU 30 HD23 LEU 30 2.763 -6.434 7.132
247 H LYS 31 HN LYS 31 1.016 -9.538 3.288
248 HA LYS 31 HA LYS 31 3.339 -10.599 2.119
249 HB2 LYS 31 HB2 LYS 31 0.617 -10.167 0.876
250 HB3 LYS 31 HB1 LYS 31 1.884 -11.178 0.197
251 HG2 LYS 31 HG2 LYS 31 0.507 -11.611 2.840
252 HG3 LYS 31 HG1 LYS 31 0.205 -12.503 1.348
253 HD2 LYS 31 HD2 LYS 31 2.534 -13.290 1.365
254 HD3 LYS 31 HD1 LYS 31 2.804 -12.428 2.881
255 HE2 LYS 31 HE2 LYS 31 2.386 -14.773 3.323
256 HE3 LYS 31 HE1 LYS 31 1.058 -13.795 3.944
257 HZ1 LYS 31 HZ1 LYS 31 0.202 -15.722 2.815
258 HZ2 LYS 31 HZ2 LYS 31 1.065 -15.347 1.412
259 HZ3 LYS 31 HZ3 LYS 31 -0.197 -14.344 1.921
260 H CYS 32 HN CYS 32 1.528 -7.682 1.448
261 HA CYS 32 HA CYS 32 3.449 -6.963 -0.638
262 HB2 CYS 32 HB2 CYS 32 0.794 -5.735 0.131
263 HB3 CYS 32 HB1 CYS 32 1.848 -5.114 -1.137
264 H TYR 33 HN TYR 33 2.489 -6.223 2.597
265 HA TYR 33 HA TYR 33 3.627 -3.689 2.935
266 HB2 TYR 33 HB2 TYR 33 2.210 -5.033 4.595
267 HB3 TYR 33 HB1 TYR 33 3.686 -5.895 5.002
268 HD1 TYR 33 HD1 TYR 33 5.177 -2.999 4.511
269 HD2 TYR 33 HD2 TYR 33 2.149 -4.539 7.064
270 HE1 TYR 33 HE1 TYR 33 5.711 -1.265 6.188
271 HE2 TYR 33 HE2 TYR 33 2.679 -2.828 8.744
272 HH TYR 33 HH TYR 33 4.684 -1.417 9.366
273 H LYS 34 HN LYS 34 5.030 -6.889 3.576
274 HA LYS 34 HA LYS 34 7.656 -5.703 3.930
275 HB2 LYS 34 HB2 LYS 34 6.739 -8.569 4.190
276 HB3 LYS 34 HB1 LYS 34 8.334 -7.964 4.618
277 HG2 LYS 34 HG2 LYS 34 7.273 -6.480 6.287
278 HG3 LYS 34 HG1 LYS 34 5.717 -7.217 5.905
279 HD2 LYS 34 HD2 LYS 34 6.682 -8.220 7.902
280 HD3 LYS 34 HD1 LYS 34 6.586 -9.399 6.593
281 HE2 LYS 34 HE2 LYS 34 8.720 -9.511 7.825
282 HE3 LYS 34 HE1 LYS 34 8.938 -9.130 6.120
283 HZ1 LYS 34 HZ1 LYS 34 9.202 -6.799 6.717
284 HZ2 LYS 34 HZ2 LYS 34 10.338 -7.758 7.518
285 HZ3 LYS 34 HZ3 LYS 34 8.990 -7.171 8.353
286 H ASP 35 HN ASP 35 6.711 -5.453 1.323
287 HA ASP 35 HA ASP 35 8.393 -7.348 -0.153
288 HB2 ASP 35 HB2 ASP 35 6.078 -7.314 -0.928
289 HB3 ASP 35 HB1 ASP 35 6.128 -5.562 -1.088
290 H ALA 36 HN ALA 36 10.058 -6.548 -1.385
291 HA ALA 36 HA ALA 36 10.403 -3.625 -1.413
292 HB1 ALA 36 HB1 ALA 36 12.797 -3.901 -1.097
293 HB2 ALA 36 HB2 ALA 36 12.601 -5.651 -1.011
294 HB3 ALA 36 HB3 ALA 36 11.910 -4.624 0.244
295 H ALA 37 HN ALA 37 9.278 -5.458 -3.381
296 HA ALA 37 HA ALA 37 11.226 -5.069 -5.568
297 HB1 ALA 37 HB1 ALA 37 10.014 -6.822 -6.779
298 HB2 ALA 37 HB2 ALA 37 8.910 -7.003 -5.415
299 HB3 ALA 37 HB3 ALA 37 10.614 -7.416 -5.231
300 H LYS 38 HN LYS 38 7.811 -4.971 -4.699
301 HA LYS 38 HA LYS 38 7.321 -2.993 -6.816
302 HB2 LYS 38 HB2 LYS 38 5.360 -4.502 -5.079
303 HB3 LYS 38 HB1 LYS 38 4.946 -3.431 -6.411
304 HG2 LYS 38 HG2 LYS 38 6.062 -4.948 -7.972
305 HG3 LYS 38 HG1 LYS 38 6.475 -6.018 -6.630
306 HD2 LYS 38 HD2 LYS 38 4.029 -6.207 -6.148
307 HD3 LYS 38 HD1 LYS 38 3.723 -5.325 -7.643
308 HE2 LYS 38 HE2 LYS 38 4.948 -7.072 -8.882
309 HE3 LYS 38 HE1 LYS 38 5.152 -7.966 -7.378
310 HZ1 LYS 38 HZ1 LYS 38 2.594 -7.334 -8.739
311 HZ2 LYS 38 HZ2 LYS 38 2.702 -8.040 -7.209
312 HZ3 LYS 38 HZ3 LYS 38 3.300 -8.860 -8.558
313 H HIS 39 HN HIS 39 7.112 -3.612 -3.356
314 HA HIS 39 HA HIS 39 6.349 -0.861 -2.794
315 HB2 HIS 39 HB2 HIS 39 5.424 -2.726 -1.470
316 HB3 HIS 39 HB1 HIS 39 7.042 -3.160 -0.951
317 HD1 HIS 39 HD1 HIS 39 6.069 -2.811 1.513
318 HD2 HIS 39 HD2 HIS 39 6.379 0.608 -0.831
319 HE1 HIS 39 HE1 HIS 39 5.901 -0.852 3.084
320 H VAL 40 HN VAL 40 8.118 0.337 -3.511
321 HA VAL 40 HA VAL 40 10.675 -0.292 -2.213
322 HB VAL 40 HB VAL 40 10.267 1.287 -4.758
323 HG11 VAL 40 HG11 VAL 40 12.786 0.280 -3.440
324 HG12 VAL 40 HG12 VAL 40 12.261 1.960 -3.536
325 HG13 VAL 40 HG13 VAL 40 12.697 1.088 -5.004
326 HG21 VAL 40 HG21 VAL 40 9.705 -1.055 -5.100
327 HG22 VAL 40 HG22 VAL 40 11.239 -1.544 -4.378
328 HG23 VAL 40 HG23 VAL 40 11.223 -0.661 -5.905
329 H HIS 41 HN HIS 41 11.333 0.953 -0.707
330 HA HIS 41 HA HIS 41 10.111 3.495 -0.233
331 HB2 HIS 41 HB2 HIS 41 11.898 1.687 1.249
332 HB3 HIS 41 HB1 HIS 41 12.118 3.407 1.579
333 HD1 HIS 41 HD1 HIS 41 10.999 1.820 3.886
334 HD2 HIS 41 HD2 HIS 41 8.641 3.445 0.908
335 HE1 HIS 41 HE1 HIS 41 8.746 2.304 4.946
336 H LYS 42 HN LYS 42 10.655 4.585 -2.093
337 HA LYS 42 HA LYS 42 13.254 5.896 -1.844
338 HB2 LYS 42 HB2 LYS 42 13.345 6.070 -4.347
339 HB3 LYS 42 HB1 LYS 42 13.574 4.447 -3.720
340 HG2 LYS 42 HG2 LYS 42 11.288 3.872 -4.292
341 HG3 LYS 42 HG1 LYS 42 11.000 5.519 -4.854
342 HD2 LYS 42 HD2 LYS 42 13.087 3.678 -6.019
343 HD3 LYS 42 HD1 LYS 42 11.458 3.863 -6.674
344 HE2 LYS 42 HE2 LYS 42 13.443 6.112 -6.340
345 HE3 LYS 42 HE1 LYS 42 13.166 5.238 -7.843
346 HZ1 LYS 42 HZ1 LYS 42 11.935 7.329 -7.756
347 HZ2 LYS 42 HZ2 LYS 42 11.111 6.800 -6.372
348 HZ3 LYS 42 HZ3 LYS 42 10.887 6.000 -7.843
349 H GLU 43 HN GLU 43 12.846 7.916 -1.318
350 HA GLU 43 HA GLU 43 10.435 9.216 -2.371
351 HB2 GLU 43 HB2 GLU 43 10.727 10.882 -0.636
352 HB3 GLU 43 HB1 GLU 43 10.762 9.281 0.083
353 HG2 GLU 43 HG2 GLU 43 13.235 10.856 -0.585
354 HG3 GLU 43 HG1 GLU 43 12.431 10.914 0.981
355 H SER 44 HN SER 44 13.394 8.704 -3.329
356 HA SER 44 HA SER 44 13.604 11.232 -4.768
357 HB2 SER 44 HB2 SER 44 15.112 11.460 -2.833
358 HB3 SER 44 HB1 SER 44 15.888 9.933 -3.246
359 HG SER 44 HG SER 44 17.168 11.502 -4.094
360 H GLU 45 HN GLU 45 14.847 11.018 -6.727
361 HA GLU 45 HA GLU 45 14.626 8.379 -7.890
362 HB2 GLU 45 HB2 GLU 45 15.579 10.994 -9.073
363 HB3 GLU 45 HB1 GLU 45 15.324 9.509 -9.979
364 HG2 GLU 45 HG2 GLU 45 13.208 11.054 -8.498
365 HG3 GLU 45 HG1 GLU 45 13.463 11.057 -10.241
366 H GLN 46 HN GLN 46 16.796 9.662 -5.931
367 HA GLN 46 HA GLN 46 18.970 8.046 -7.063
368 HB2 GLN 46 HB2 GLN 46 19.223 10.719 -5.672
369 HB3 GLN 46 HB1 GLN 46 20.580 9.653 -6.009
370 HG2 GLN 46 HG2 GLN 46 18.774 10.900 -8.069
371 HG3 GLN 46 HG1 GLN 46 20.394 11.453 -7.647
372 HE21 GLN 46 HE21 GLN 46 19.351 10.544 -10.199
373 HE22 GLN 46 HE22 GLN 46 20.344 9.212 -10.682
Start of MODEL 9
1 H1 GLY -2 HT1 GLY -2 -14.605 12.792 4.982
2 H2 GLY -2 HT2 GLY -2 -14.168 14.361 5.431
3 H3 GLY -2 HT3 GLY -2 -15.061 14.105 4.019
4 HA2 GLY -2 HA1 GLY -2 -16.003 13.572 6.780
5 HA3 GLY -2 HA2 GLY -2 -16.468 14.949 5.792
6 HA PRO -1 HA PRO -1 -19.569 11.648 4.980
7 HB2 PRO -1 HB2 PRO -1 -21.776 13.116 5.362
8 HB3 PRO -1 HB1 PRO -1 -20.857 12.460 6.722
9 HG2 PRO -1 HG2 PRO -1 -20.872 15.233 5.605
10 HG3 PRO -1 HG1 PRO -1 -20.838 14.706 7.297
11 HD2 PRO -1 HD2 PRO -1 -18.623 15.517 5.868
12 HD3 PRO -1 HD1 PRO -1 -18.570 14.465 7.295
13 H HIS 0 HN HIS 0 -18.155 12.830 2.939
14 HA HIS 0 HA HIS 0 -20.273 13.287 0.971
15 HB2 HIS 0 HB2 HIS 0 -17.845 15.065 1.300
16 HB3 HIS 0 HB1 HIS 0 -18.892 15.080 -0.111
17 HD1 HIS 0 HD1 HIS 0 -18.429 16.676 3.078
18 HD2 HIS 0 HD2 HIS 0 -21.676 15.817 0.631
19 HE1 HIS 0 HE1 HIS 0 -20.284 18.182 3.861
20 HE2 HIS 0 HE2 HIS 0 -22.279 17.541 2.463
21 H MET 1 HN MET 1 -18.540 11.042 1.682
22 HA MET 1 HA MET 1 -17.685 10.319 -0.938
23 HB2 MET 1 HB2 MET 1 -15.769 11.749 -0.218
24 HB3 MET 1 HB1 MET 1 -15.506 10.651 1.129
25 HG2 MET 1 HG2 MET 1 -15.182 8.817 -0.534
26 HG3 MET 1 HG1 MET 1 -15.243 10.038 -1.803
27 HE1 MET 1 HE1 MET 1 -13.604 10.228 1.806
28 HE2 MET 1 HE2 MET 1 -11.969 9.694 1.420
29 HE3 MET 1 HE3 MET 1 -13.327 8.587 1.227
30 H VAL 2 HN VAL 2 -18.384 8.294 -0.995
31 HA VAL 2 HA VAL 2 -18.395 6.677 1.421
32 HB VAL 2 HB VAL 2 -20.370 6.688 -0.077
33 HG11 VAL 2 HG11 VAL 2 -18.544 5.300 -2.030
34 HG12 VAL 2 HG12 VAL 2 -19.277 6.891 -2.223
35 HG13 VAL 2 HG13 VAL 2 -20.294 5.451 -2.199
36 HG21 VAL 2 HG21 VAL 2 -20.727 4.262 -0.111
37 HG22 VAL 2 HG22 VAL 2 -20.005 4.799 1.405
38 HG23 VAL 2 HG23 VAL 2 -19.007 4.011 0.182
39 H SER 3 HN SER 3 -16.479 7.122 -1.386
40 HA SER 3 HA SER 3 -15.345 4.475 -1.404
41 HB2 SER 3 HB2 SER 3 -13.790 5.548 -3.126
42 HB3 SER 3 HB1 SER 3 -15.506 5.517 -3.528
43 HG SER 3 HG SER 3 -13.875 7.678 -2.788
44 H SER 4 HN SER 4 -14.900 5.003 1.052
45 HA SER 4 HA SER 4 -12.386 6.384 1.470
46 HB2 SER 4 HB2 SER 4 -14.055 4.779 3.421
47 HB3 SER 4 HB1 SER 4 -12.738 5.879 3.828
48 HG SER 4 HG SER 4 -15.292 6.457 3.540
49 H ALA 5 HN ALA 5 -13.487 3.240 0.766
50 HA ALA 5 HA ALA 5 -11.250 1.801 1.829
51 HB1 ALA 5 HB1 ALA 5 -12.136 -0.095 0.588
52 HB2 ALA 5 HB2 ALA 5 -13.252 0.971 -0.266
53 HB3 ALA 5 HB3 ALA 5 -13.423 0.725 1.471
54 H VAL 6 HN VAL 6 -9.561 0.857 0.651
55 HA VAL 6 HA VAL 6 -8.981 2.158 -1.935
56 HB VAL 6 HB VAL 6 -6.571 1.189 -1.046
57 HG11 VAL 6 HG11 VAL 6 -7.671 3.969 -0.789
58 HG12 VAL 6 HG12 VAL 6 -6.882 3.256 -2.199
59 HG13 VAL 6 HG13 VAL 6 -5.964 3.528 -0.719
60 HG21 VAL 6 HG21 VAL 6 -7.394 0.739 1.151
61 HG22 VAL 6 HG22 VAL 6 -8.018 2.384 1.301
62 HG23 VAL 6 HG23 VAL 6 -6.279 2.102 1.216
63 H LYS 7 HN LYS 7 -7.341 0.900 -3.184
64 HA LYS 7 HA LYS 7 -7.544 -1.984 -2.690
65 HB2 LYS 7 HB2 LYS 7 -7.169 -0.632 -5.370
66 HB3 LYS 7 HB1 LYS 7 -7.266 -2.357 -5.059
67 HG2 LYS 7 HG2 LYS 7 -9.494 -0.416 -4.551
68 HG3 LYS 7 HG1 LYS 7 -9.343 -1.438 -5.981
69 HD2 LYS 7 HD2 LYS 7 -9.325 -3.423 -4.464
70 HD3 LYS 7 HD1 LYS 7 -9.683 -2.332 -3.125
71 HE2 LYS 7 HE2 LYS 7 -11.737 -1.633 -4.240
72 HE3 LYS 7 HE1 LYS 7 -11.375 -2.713 -5.585
73 HZ1 LYS 7 HZ1 LYS 7 -11.504 -4.588 -4.054
74 HZ2 LYS 7 HZ2 LYS 7 -12.954 -3.716 -4.068
75 HZ3 LYS 7 HZ3 LYS 7 -11.874 -3.541 -2.772
76 H CYS 8 HN CYS 8 -5.693 -3.054 -2.606
77 HA CYS 8 HA CYS 8 -3.387 -1.905 -1.717
78 HB2 CYS 8 HB2 CYS 8 -3.988 -4.322 -1.629
79 HB3 CYS 8 HB1 CYS 8 -3.553 -4.459 -3.322
80 H GLY 9 HN GLY 9 -2.082 -0.477 -2.682
81 HA2 GLY 9 HA2 GLY 9 -2.025 -0.222 -5.549
82 HA3 GLY 9 HA1 GLY 9 -1.146 0.767 -4.395
83 H ILE 10 HN ILE 10 -0.693 -2.549 -3.915
84 HA ILE 10 HA ILE 10 1.935 -2.355 -5.201
85 HB ILE 10 HB ILE 10 1.139 -4.136 -2.898
86 HG12 ILE 10 HG12 ILE 10 2.563 -1.468 -2.974
87 HG13 ILE 10 HG11 ILE 10 1.050 -1.848 -2.163
88 HG21 ILE 10 HG21 ILE 10 3.567 -4.466 -2.652
89 HG22 ILE 10 HG22 ILE 10 3.832 -3.501 -4.103
90 HG23 ILE 10 HG23 ILE 10 2.976 -5.038 -4.212
91 HD11 ILE 10 HD11 ILE 10 3.011 -1.612 -0.670
92 HD12 ILE 10 HD12 ILE 10 3.681 -3.059 -1.421
93 HD13 ILE 10 HD13 ILE 10 2.165 -3.152 -0.537
94 H CYS 11 HN CYS 11 -0.831 -4.509 -4.636
95 HA CYS 11 HA CYS 11 0.175 -6.158 -6.855
96 HB2 CYS 11 HB2 CYS 11 -0.897 -8.097 -5.894
97 HB3 CYS 11 HB1 CYS 11 0.139 -7.350 -4.685
98 H ARG 12 HN ARG 12 -2.332 -4.192 -5.709
99 HA ARG 12 HA ARG 12 -4.350 -3.547 -6.479
100 HB2 ARG 12 HB2 ARG 12 -3.322 -4.669 -9.090
101 HB3 ARG 12 HB1 ARG 12 -4.743 -3.652 -8.920
102 HG2 ARG 12 HG2 ARG 12 -1.897 -2.870 -8.327
103 HG3 ARG 12 HG1 ARG 12 -2.877 -2.341 -9.694
104 HD2 ARG 12 HD2 ARG 12 -3.370 -1.740 -6.781
105 HD3 ARG 12 HD1 ARG 12 -2.802 -0.609 -8.003
106 HE ARG 12 HE ARG 12 -5.261 -1.674 -8.838
107 HH11 ARG 12 HH11 ARG 12 -3.946 0.464 -6.395
108 HH12 ARG 12 HH12 ARG 12 -5.414 1.369 -6.211
109 HH21 ARG 12 HH21 ARG 12 -7.198 -0.484 -8.598
110 HH22 ARG 12 HH22 ARG 12 -7.256 0.844 -7.482
111 H GLY 13 HN GLY 13 -4.146 -6.079 -5.249
112 HA2 GLY 13 HA2 GLY 13 -5.872 -7.865 -6.775
113 HA3 GLY 13 HA1 GLY 13 -5.065 -8.237 -5.257
114 H VAL 14 HN VAL 14 -5.876 -6.902 -3.353
115 HA VAL 14 HA VAL 14 -8.792 -6.610 -3.566
116 HB VAL 14 HB VAL 14 -9.056 -7.477 -1.311
117 HG11 VAL 14 HG11 VAL 14 -8.466 -9.816 -1.697
118 HG12 VAL 14 HG12 VAL 14 -7.406 -9.330 -3.019
119 HG13 VAL 14 HG13 VAL 14 -9.147 -9.075 -3.145
120 HG21 VAL 14 HG21 VAL 14 -6.965 -6.765 -0.331
121 HG22 VAL 14 HG22 VAL 14 -6.071 -7.890 -1.355
122 HG23 VAL 14 HG23 VAL 14 -7.165 -8.503 -0.116
123 H ASP 15 HN ASP 15 -9.337 -5.648 -1.092
124 HA ASP 15 HA ASP 15 -8.740 -2.918 -1.376
125 HB2 ASP 15 HB2 ASP 15 -9.746 -4.269 1.134
126 HB3 ASP 15 HB1 ASP 15 -9.974 -2.590 0.662
127 H GLY 16 HN GLY 16 -7.306 -1.589 -0.379
128 HA2 GLY 16 HA2 GLY 16 -5.053 -2.809 0.971
129 HA3 GLY 16 HA1 GLY 16 -5.218 -1.114 0.530
130 H LYS 17 HN LYS 17 -6.317 -3.561 2.829
131 HA LYS 17 HA LYS 17 -7.536 -1.693 4.601
132 HB2 LYS 17 HB2 LYS 17 -7.450 -3.657 6.221
133 HB3 LYS 17 HB1 LYS 17 -8.377 -3.869 4.744
134 HG2 LYS 17 HG2 LYS 17 -6.892 -5.366 3.861
135 HG3 LYS 17 HG1 LYS 17 -5.529 -4.726 4.781
136 HD2 LYS 17 HD2 LYS 17 -6.176 -6.926 5.606
137 HD3 LYS 17 HD1 LYS 17 -6.469 -5.687 6.825
138 HE2 LYS 17 HE2 LYS 17 -8.321 -7.251 6.742
139 HE3 LYS 17 HE1 LYS 17 -8.838 -5.652 6.218
140 HZ1 LYS 17 HZ1 LYS 17 -8.731 -6.374 3.941
141 HZ2 LYS 17 HZ2 LYS 17 -9.704 -7.440 4.814
142 HZ3 LYS 17 HZ3 LYS 17 -8.128 -7.885 4.397
143 H TYR 18 HN TYR 18 -4.292 -2.591 4.088
144 HA TYR 18 HA TYR 18 -3.535 -1.476 6.701
145 HB2 TYR 18 HB2 TYR 18 -2.280 -3.509 4.920
146 HB3 TYR 18 HB1 TYR 18 -1.233 -2.527 5.942
147 HD1 TYR 18 HD1 TYR 18 -4.263 -4.673 6.122
148 HD2 TYR 18 HD2 TYR 18 -0.813 -3.219 8.110
149 HE1 TYR 18 HE1 TYR 18 -4.726 -6.182 7.998
150 HE2 TYR 18 HE2 TYR 18 -1.262 -4.719 10.002
151 HH TYR 18 HH TYR 18 -3.494 -7.273 9.821
152 H LYS 19 HN LYS 19 -1.595 -0.063 6.714
153 HA LYS 19 HA LYS 19 -1.249 1.406 4.203
154 HB2 LYS 19 HB2 LYS 19 -3.156 2.315 5.710
155 HB3 LYS 19 HB1 LYS 19 -1.865 2.883 6.751
156 HG2 LYS 19 HG2 LYS 19 -1.924 3.623 3.853
157 HG3 LYS 19 HG1 LYS 19 -2.908 4.484 5.023
158 HD2 LYS 19 HD2 LYS 19 -0.667 4.712 6.332
159 HD3 LYS 19 HD1 LYS 19 0.061 4.375 4.758
160 HE2 LYS 19 HE2 LYS 19 -1.797 6.634 5.480
161 HE3 LYS 19 HE1 LYS 19 -0.100 6.750 5.019
162 HZ1 LYS 19 HZ1 LYS 19 -0.693 5.961 2.808
163 HZ2 LYS 19 HZ2 LYS 19 -1.558 7.358 3.199
164 HZ3 LYS 19 HZ3 LYS 19 -2.318 5.852 3.259
165 H CYS 20 HN CYS 20 0.657 2.551 4.025
166 HA CYS 20 HA CYS 20 2.659 1.996 6.109
167 HB2 CYS 20 HB2 CYS 20 3.217 1.220 3.822
168 HB3 CYS 20 HB1 CYS 20 3.114 2.883 3.253
169 HA PRO 21 HA PRO 21 2.175 6.396 6.969
170 HB2 PRO 21 HB2 PRO 21 3.700 6.373 9.215
171 HB3 PRO 21 HB1 PRO 21 2.014 5.845 9.192
172 HG2 PRO 21 HG2 PRO 21 4.512 4.202 9.102
173 HG3 PRO 21 HG1 PRO 21 3.026 3.927 10.029
174 HD2 PRO 21 HD2 PRO 21 3.559 2.612 7.719
175 HD3 PRO 21 HD1 PRO 21 1.909 3.034 8.216
176 H LYS 22 HN LYS 22 4.771 4.659 5.825
177 HA LYS 22 HA LYS 22 6.702 6.833 6.149
178 HB2 LYS 22 HB2 LYS 22 7.108 4.090 4.954
179 HB3 LYS 22 HB1 LYS 22 8.365 5.258 5.336
180 HG2 LYS 22 HG2 LYS 22 6.556 3.929 7.338
181 HG3 LYS 22 HG1 LYS 22 8.217 3.453 6.987
182 HD2 LYS 22 HD2 LYS 22 7.345 6.135 8.067
183 HD3 LYS 22 HD1 LYS 22 8.060 4.830 9.015
184 HE2 LYS 22 HE2 LYS 22 9.379 6.304 6.736
185 HE3 LYS 22 HE1 LYS 22 9.717 6.529 8.449
186 HZ1 LYS 22 HZ1 LYS 22 10.218 4.069 6.858
187 HZ2 LYS 22 HZ2 LYS 22 10.431 4.190 8.530
188 HZ3 LYS 22 HZ3 LYS 22 11.380 5.129 7.487
189 H CYS 23 HN CYS 23 5.493 4.749 3.492
190 HA CYS 23 HA CYS 23 6.304 6.869 1.635
191 HB2 CYS 23 HB2 CYS 23 6.032 5.197 -0.168
192 HB3 CYS 23 HB1 CYS 23 7.219 4.726 1.031
193 H GLY 24 HN GLY 24 3.559 5.485 3.067
194 HA2 GLY 24 HA2 GLY 24 1.499 6.602 3.117
195 HA3 GLY 24 HA1 GLY 24 1.930 7.419 1.619
196 H VAL 25 HN VAL 25 2.607 4.126 1.567
197 HA VAL 25 HA VAL 25 0.674 3.810 -0.537
198 HB VAL 25 HB VAL 25 3.104 2.921 -0.480
199 HG11 VAL 25 HG11 VAL 25 3.028 1.714 1.599
200 HG12 VAL 25 HG12 VAL 25 3.308 0.585 0.273
201 HG13 VAL 25 HG13 VAL 25 1.707 0.708 1.006
202 HG21 VAL 25 HG21 VAL 25 0.831 1.198 -1.427
203 HG22 VAL 25 HG22 VAL 25 2.507 1.059 -1.954
204 HG23 VAL 25 HG23 VAL 25 1.591 2.524 -2.307
205 H ARG 26 HN ARG 26 -0.774 2.038 -0.671
206 HA ARG 26 HA ARG 26 -1.802 1.115 1.928
207 HB2 ARG 26 HB2 ARG 26 -3.199 1.992 -0.575
208 HB3 ARG 26 HB1 ARG 26 -3.971 0.827 0.487
209 HG2 ARG 26 HG2 ARG 26 -2.979 3.495 1.443
210 HG3 ARG 26 HG1 ARG 26 -4.614 3.233 0.831
211 HD2 ARG 26 HD2 ARG 26 -4.814 1.383 2.536
212 HD3 ARG 26 HD1 ARG 26 -3.307 1.973 3.228
213 HE ARG 26 HE ARG 26 -4.822 4.195 3.198
214 HH11 ARG 26 HH11 ARG 26 -5.479 0.939 4.286
215 HH12 ARG 26 HH12 ARG 26 -6.529 1.438 5.573
216 HH21 ARG 26 HH21 ARG 26 -6.228 4.861 4.890
217 HH22 ARG 26 HH22 ARG 26 -6.973 3.663 5.903
218 H TYR 27 HN TYR 27 -1.525 -0.992 2.237
219 HA TYR 27 HA TYR 27 -1.465 -2.711 -0.144
220 HB2 TYR 27 HB2 TYR 27 -0.186 -4.226 1.739
221 HB3 TYR 27 HB1 TYR 27 0.605 -3.278 0.495
222 HD1 TYR 27 HD1 TYR 27 -0.859 -2.666 3.876
223 HD2 TYR 27 HD2 TYR 27 2.392 -2.050 1.217
224 HE1 TYR 27 HE1 TYR 27 0.329 -1.375 5.618
225 HE2 TYR 27 HE2 TYR 27 3.582 -0.786 2.947
226 HH TYR 27 HH TYR 27 2.498 -0.705 6.217
227 H CYS 28 HN CYS 28 -2.199 -4.822 0.088
228 HA CYS 28 HA CYS 28 -4.716 -4.955 1.360
229 HB2 CYS 28 HB2 CYS 28 -4.805 -7.222 0.379
230 HB3 CYS 28 HB1 CYS 28 -4.317 -6.010 -0.794
231 H SER 29 HN SER 29 -1.532 -6.106 2.170
232 HA SER 29 HA SER 29 -2.192 -6.771 4.823
233 HB2 SER 29 HB2 SER 29 -1.869 -9.105 2.915
234 HB3 SER 29 HB1 SER 29 -1.656 -9.254 4.655
235 HG SER 29 HG SER 29 -4.017 -8.086 3.706
236 H LEU 30 HN LEU 30 -0.210 -8.548 5.494
237 HA LEU 30 HA LEU 30 2.099 -6.924 5.386
238 HB2 LEU 30 HB2 LEU 30 1.456 -8.579 7.190
239 HB3 LEU 30 HB1 LEU 30 2.001 -9.847 6.112
240 HG LEU 30 HG LEU 30 4.260 -8.696 6.092
241 HD11 LEU 30 HD11 LEU 30 3.031 -7.227 8.418
242 HD12 LEU 30 HD12 LEU 30 3.554 -6.517 6.892
243 HD13 LEU 30 HD13 LEU 30 4.740 -7.221 7.989
244 HD21 LEU 30 HD21 LEU 30 3.813 -10.731 7.369
245 HD22 LEU 30 HD22 LEU 30 3.242 -9.758 8.723
246 HD23 LEU 30 HD23 LEU 30 4.929 -9.666 8.221
247 H LYS 31 HN LYS 31 0.925 -9.468 3.376
248 HA LYS 31 HA LYS 31 3.179 -10.503 2.181
249 HB2 LYS 31 HB2 LYS 31 0.567 -9.816 0.823
250 HB3 LYS 31 HB1 LYS 31 1.777 -10.929 0.205
251 HG2 LYS 31 HG2 LYS 31 0.234 -11.279 2.766
252 HG3 LYS 31 HG1 LYS 31 -0.117 -12.082 1.235
253 HD2 LYS 31 HD2 LYS 31 2.112 -13.127 1.298
254 HD3 LYS 31 HD1 LYS 31 2.413 -12.357 2.857
255 HE2 LYS 31 HE2 LYS 31 1.699 -14.691 3.107
256 HE3 LYS 31 HE1 LYS 31 0.558 -13.566 3.844
257 HZ1 LYS 31 HZ1 LYS 31 -0.859 -13.779 1.909
258 HZ2 LYS 31 HZ2 LYS 31 -0.565 -15.298 2.587
259 HZ3 LYS 31 HZ3 LYS 31 0.244 -14.832 1.178
260 H CYS 32 HN CYS 32 1.482 -7.512 1.369
261 HA CYS 32 HA CYS 32 3.533 -6.896 -0.614
262 HB2 CYS 32 HB2 CYS 32 0.899 -5.556 0.016
263 HB3 CYS 32 HB1 CYS 32 2.018 -5.025 -1.236
264 H TYR 33 HN TYR 33 2.539 -6.091 2.568
265 HA TYR 33 HA TYR 33 3.687 -3.567 2.884
266 HB2 TYR 33 HB2 TYR 33 2.248 -4.797 4.563
267 HB3 TYR 33 HB1 TYR 33 3.655 -5.772 4.960
268 HD1 TYR 33 HD1 TYR 33 5.177 -2.812 4.359
269 HD2 TYR 33 HD2 TYR 33 2.426 -4.478 7.142
270 HE1 TYR 33 HE1 TYR 33 5.838 -1.125 6.014
271 HE2 TYR 33 HE2 TYR 33 3.094 -2.800 8.809
272 HH TYR 33 HH TYR 33 5.024 -1.348 9.293
273 H LYS 34 HN LYS 34 5.099 -6.723 3.772
274 HA LYS 34 HA LYS 34 7.742 -5.521 3.866
275 HB2 LYS 34 HB2 LYS 34 6.829 -8.340 4.460
276 HB3 LYS 34 HB1 LYS 34 8.457 -7.727 4.714
277 HG2 LYS 34 HG2 LYS 34 7.568 -6.093 6.321
278 HG3 LYS 34 HG1 LYS 34 5.958 -6.771 6.092
279 HD2 LYS 34 HD2 LYS 34 6.950 -7.682 8.103
280 HD3 LYS 34 HD1 LYS 34 6.783 -8.950 6.890
281 HE2 LYS 34 HE2 LYS 34 9.134 -8.764 6.329
282 HE3 LYS 34 HE1 LYS 34 9.320 -7.418 7.452
283 HZ1 LYS 34 HZ1 LYS 34 8.592 -10.200 8.187
284 HZ2 LYS 34 HZ2 LYS 34 8.758 -8.911 9.269
285 HZ3 LYS 34 HZ3 LYS 34 10.104 -9.480 8.418
286 H ASP 35 HN ASP 35 6.957 -5.301 1.366
287 HA ASP 35 HA ASP 35 8.421 -7.409 -0.060
288 HB2 ASP 35 HB2 ASP 35 6.025 -7.285 -0.682
289 HB3 ASP 35 HB1 ASP 35 6.242 -5.597 -1.129
290 H ALA 36 HN ALA 36 9.962 -6.737 -1.549
291 HA ALA 36 HA ALA 36 10.551 -3.852 -1.583
292 HB1 ALA 36 HB1 ALA 36 12.118 -4.954 -0.092
293 HB2 ALA 36 HB2 ALA 36 12.945 -4.401 -1.547
294 HB3 ALA 36 HB3 ALA 36 12.542 -6.106 -1.356
295 H ALA 37 HN ALA 37 9.359 -6.099 -3.403
296 HA ALA 37 HA ALA 37 11.090 -5.752 -5.743
297 HB1 ALA 37 HB1 ALA 37 8.696 -7.536 -5.295
298 HB2 ALA 37 HB2 ALA 37 10.389 -8.027 -5.252
299 HB3 ALA 37 HB3 ALA 37 9.669 -7.484 -6.766
300 H LYS 38 HN LYS 38 7.791 -5.266 -4.614
301 HA LYS 38 HA LYS 38 7.316 -3.436 -6.874
302 HB2 LYS 38 HB2 LYS 38 5.360 -4.839 -5.053
303 HB3 LYS 38 HB1 LYS 38 4.917 -3.712 -6.329
304 HG2 LYS 38 HG2 LYS 38 5.804 -5.203 -8.008
305 HG3 LYS 38 HG1 LYS 38 6.379 -6.310 -6.757
306 HD2 LYS 38 HD2 LYS 38 4.093 -6.698 -6.034
307 HD3 LYS 38 HD1 LYS 38 3.498 -5.564 -7.244
308 HE2 LYS 38 HE2 LYS 38 3.213 -7.838 -8.020
309 HE3 LYS 38 HE1 LYS 38 4.401 -7.000 -9.015
310 HZ1 LYS 38 HZ1 LYS 38 5.082 -9.263 -8.432
311 HZ2 LYS 38 HZ2 LYS 38 5.057 -8.856 -6.794
312 HZ3 LYS 38 HZ3 LYS 38 6.162 -8.110 -7.833
313 H HIS 39 HN HIS 39 7.070 -3.829 -3.378
314 HA HIS 39 HA HIS 39 6.365 -1.047 -2.966
315 HB2 HIS 39 HB2 HIS 39 5.494 -2.874 -1.521
316 HB3 HIS 39 HB1 HIS 39 7.129 -3.204 -0.985
317 HD1 HIS 39 HD1 HIS 39 5.953 -2.761 1.416
318 HD2 HIS 39 HD2 HIS 39 6.491 0.557 -1.035
319 HE1 HIS 39 HE1 HIS 39 5.713 -0.739 2.892
320 H VAL 40 HN VAL 40 7.943 0.427 -3.255
321 HA VAL 40 HA VAL 40 10.626 -0.273 -2.286
322 HB VAL 40 HB VAL 40 10.007 1.497 -4.658
323 HG11 VAL 40 HG11 VAL 40 12.642 0.490 -3.587
324 HG12 VAL 40 HG12 VAL 40 12.048 2.148 -3.497
325 HG13 VAL 40 HG13 VAL 40 12.422 1.429 -5.064
326 HG21 VAL 40 HG21 VAL 40 9.519 -0.845 -5.150
327 HG22 VAL 40 HG22 VAL 40 11.130 -1.304 -4.597
328 HG23 VAL 40 HG23 VAL 40 10.944 -0.295 -6.033
329 H HIS 41 HN HIS 41 11.551 1.014 -0.914
330 HA HIS 41 HA HIS 41 10.197 3.497 -0.237
331 HB2 HIS 41 HB2 HIS 41 11.774 1.538 1.278
332 HB3 HIS 41 HB1 HIS 41 12.089 3.222 1.692
333 HD1 HIS 41 HD1 HIS 41 10.797 1.728 3.898
334 HD2 HIS 41 HD2 HIS 41 8.624 3.453 0.828
335 HE1 HIS 41 HE1 HIS 41 8.534 2.311 4.874
336 H LYS 42 HN LYS 42 10.848 5.192 -1.267
337 HA LYS 42 HA LYS 42 13.648 5.636 -1.876
338 HB2 LYS 42 HB2 LYS 42 12.862 7.769 -2.841
339 HB3 LYS 42 HB1 LYS 42 11.977 6.398 -3.487
340 HG2 LYS 42 HG2 LYS 42 10.103 6.900 -2.010
341 HG3 LYS 42 HG1 LYS 42 10.995 8.260 -1.333
342 HD2 LYS 42 HD2 LYS 42 9.454 9.106 -2.963
343 HD3 LYS 42 HD1 LYS 42 11.085 9.256 -3.612
344 HE2 LYS 42 HE2 LYS 42 9.579 8.456 -5.331
345 HE3 LYS 42 HE1 LYS 42 10.739 7.197 -4.913
346 HZ1 LYS 42 HZ1 LYS 42 9.071 6.103 -3.592
347 HZ2 LYS 42 HZ2 LYS 42 8.458 6.358 -5.148
348 HZ3 LYS 42 HZ3 LYS 42 7.961 7.350 -3.871
349 H GLU 43 HN GLU 43 13.463 8.535 -1.332
350 HA GLU 43 HA GLU 43 14.506 8.573 1.282
351 HB2 GLU 43 HB2 GLU 43 13.381 10.924 -0.241
352 HB3 GLU 43 HB1 GLU 43 14.597 10.961 1.030
353 HG2 GLU 43 HG2 GLU 43 16.166 9.804 -0.399
354 HG3 GLU 43 HG1 GLU 43 14.948 9.676 -1.666
355 H SER 44 HN SER 44 13.078 7.754 2.794
356 HA SER 44 HA SER 44 10.560 9.226 3.148
357 HB2 SER 44 HB2 SER 44 10.388 6.750 2.931
358 HB3 SER 44 HB1 SER 44 11.373 6.586 4.384
359 HG SER 44 HG SER 44 8.755 7.613 4.116
360 H GLU 45 HN GLU 45 13.627 8.484 4.598
361 HA GLU 45 HA GLU 45 12.925 9.597 7.167
362 HB2 GLU 45 HB2 GLU 45 15.461 8.540 5.963
363 HB3 GLU 45 HB1 GLU 45 15.515 9.476 7.447
364 HG2 GLU 45 HG2 GLU 45 15.513 7.165 8.009
365 HG3 GLU 45 HG1 GLU 45 13.958 7.847 8.475
366 H GLN 46 HN GLN 46 12.143 11.541 5.754
367 HA GLN 46 HA GLN 46 14.343 13.437 5.349
368 HB2 GLN 46 HB2 GLN 46 11.439 13.585 4.514
369 HB3 GLN 46 HB1 GLN 46 12.634 14.838 4.211
370 HG2 GLN 46 HG2 GLN 46 13.940 13.203 2.888
371 HG3 GLN 46 HG1 GLN 46 12.640 12.035 3.114
372 HE21 GLN 46 HE21 GLN 46 12.078 15.451 2.666
373 HE22 GLN 46 HE22 GLN 46 11.375 15.325 1.093
Start of MODEL 10
1 H1 GLY -2 HT1 GLY -2 -12.886 -0.815 4.844
2 H2 GLY -2 HT2 GLY -2 -13.031 0.807 4.385
3 H3 GLY -2 HT3 GLY -2 -14.404 -0.181 4.445
4 HA2 GLY -2 HA1 GLY -2 -12.748 0.639 6.768
5 HA3 GLY -2 HA2 GLY -2 -14.329 1.288 6.355
6 HA PRO -1 HA PRO -1 -14.499 -2.402 9.399
7 HB2 PRO -1 HB2 PRO -1 -16.283 -0.423 10.727
8 HB3 PRO -1 HB1 PRO -1 -15.115 -1.540 11.440
9 HG2 PRO -1 HG2 PRO -1 -14.553 1.047 11.247
10 HG3 PRO -1 HG1 PRO -1 -13.306 -0.175 10.935
11 HD2 PRO -1 HD2 PRO -1 -14.862 1.483 8.998
12 HD3 PRO -1 HD1 PRO -1 -13.163 0.982 8.940
13 H HIS 0 HN HIS 0 -17.227 -0.151 8.744
14 HA HIS 0 HA HIS 0 -18.727 -2.512 7.823
15 HB2 HIS 0 HB2 HIS 0 -20.796 -1.569 8.649
16 HB3 HIS 0 HB1 HIS 0 -19.640 -1.676 9.963
17 HD1 HIS 0 HD1 HIS 0 -19.722 0.296 11.440
18 HD2 HIS 0 HD2 HIS 0 -20.733 1.280 7.527
19 HE1 HIS 0 HE1 HIS 0 -20.310 2.741 11.480
20 HE2 HIS 0 HE2 HIS 0 -20.783 3.340 9.082
21 H MET 1 HN MET 1 -17.101 -0.170 6.593
22 HA MET 1 HA MET 1 -19.128 0.530 4.577
23 HB2 MET 1 HB2 MET 1 -16.694 2.082 5.456
24 HB3 MET 1 HB1 MET 1 -17.634 2.476 4.026
25 HG2 MET 1 HG2 MET 1 -19.611 2.812 5.449
26 HG3 MET 1 HG1 MET 1 -18.618 2.485 6.868
27 HE1 MET 1 HE1 MET 1 -19.259 4.864 3.838
28 HE2 MET 1 HE2 MET 1 -17.552 4.480 3.618
29 HE3 MET 1 HE3 MET 1 -18.035 6.113 4.074
30 H VAL 2 HN VAL 2 -18.879 -0.508 2.750
31 HA VAL 2 HA VAL 2 -16.289 -1.605 1.994
32 HB VAL 2 HB VAL 2 -18.919 -1.783 0.504
33 HG11 VAL 2 HG11 VAL 2 -16.955 -2.255 -0.865
34 HG12 VAL 2 HG12 VAL 2 -17.902 -3.717 -0.590
35 HG13 VAL 2 HG13 VAL 2 -16.411 -3.448 0.314
36 HG21 VAL 2 HG21 VAL 2 -19.136 -2.722 2.751
37 HG22 VAL 2 HG22 VAL 2 -17.726 -3.740 2.464
38 HG23 VAL 2 HG23 VAL 2 -19.194 -3.981 1.520
39 H SER 3 HN SER 3 -18.462 0.976 1.225
40 HA SER 3 HA SER 3 -17.024 1.815 -1.133
41 HB2 SER 3 HB2 SER 3 -19.130 3.279 0.482
42 HB3 SER 3 HB1 SER 3 -18.578 3.698 -1.142
43 HG SER 3 HG SER 3 -20.518 2.031 -0.460
44 H SER 4 HN SER 4 -16.149 4.087 -1.211
45 HA SER 4 HA SER 4 -14.566 5.586 -0.573
46 HB2 SER 4 HB2 SER 4 -15.687 5.175 2.213
47 HB3 SER 4 HB1 SER 4 -14.716 6.543 1.667
48 HG SER 4 HG SER 4 -16.759 6.305 0.004
49 H ALA 5 HN ALA 5 -13.692 3.049 -0.921
50 HA ALA 5 HA ALA 5 -11.671 2.713 1.196
51 HB1 ALA 5 HB1 ALA 5 -13.342 0.909 1.309
52 HB2 ALA 5 HB2 ALA 5 -11.753 0.303 0.842
53 HB3 ALA 5 HB3 ALA 5 -13.010 0.509 -0.377
54 H VAL 6 HN VAL 6 -9.960 1.084 0.231
55 HA VAL 6 HA VAL 6 -9.132 2.201 -2.343
56 HB VAL 6 HB VAL 6 -8.249 3.512 -0.359
57 HG11 VAL 6 HG11 VAL 6 -7.843 1.606 1.121
58 HG12 VAL 6 HG12 VAL 6 -6.402 2.600 0.904
59 HG13 VAL 6 HG13 VAL 6 -6.551 1.062 0.053
60 HG21 VAL 6 HG21 VAL 6 -7.248 3.675 -2.531
61 HG22 VAL 6 HG22 VAL 6 -6.275 2.236 -2.226
62 HG23 VAL 6 HG23 VAL 6 -5.999 3.703 -1.289
63 H LYS 7 HN LYS 7 -7.609 0.887 -3.463
64 HA LYS 7 HA LYS 7 -7.659 -1.900 -2.546
65 HB2 LYS 7 HB2 LYS 7 -7.049 -0.831 -5.306
66 HB3 LYS 7 HB1 LYS 7 -7.250 -2.519 -4.866
67 HG2 LYS 7 HG2 LYS 7 -9.380 -0.392 -4.773
68 HG3 LYS 7 HG1 LYS 7 -9.224 -1.658 -5.990
69 HD2 LYS 7 HD2 LYS 7 -9.562 -2.231 -3.057
70 HD3 LYS 7 HD1 LYS 7 -10.925 -2.068 -4.162
71 HE2 LYS 7 HE2 LYS 7 -8.673 -4.050 -4.481
72 HE3 LYS 7 HE1 LYS 7 -10.239 -4.419 -3.762
73 HZ1 LYS 7 HZ1 LYS 7 -9.782 -3.506 -6.550
74 HZ2 LYS 7 HZ2 LYS 7 -11.291 -3.837 -5.861
75 HZ3 LYS 7 HZ3 LYS 7 -10.168 -5.080 -6.069
76 H CYS 8 HN CYS 8 -5.746 -3.215 -2.892
77 HA CYS 8 HA CYS 8 -3.443 -2.057 -1.775
78 HB2 CYS 8 HB2 CYS 8 -4.076 -4.471 -1.671
79 HB3 CYS 8 HB1 CYS 8 -3.639 -4.622 -3.361
80 H GLY 9 HN GLY 9 -2.033 -0.725 -2.716
81 HA2 GLY 9 HA2 GLY 9 -1.966 -0.468 -5.601
82 HA3 GLY 9 HA1 GLY 9 -1.102 0.526 -4.438
83 H ILE 10 HN ILE 10 -0.764 -2.848 -4.021
84 HA ILE 10 HA ILE 10 1.891 -2.705 -5.274
85 HB ILE 10 HB ILE 10 1.130 -4.393 -2.891
86 HG12 ILE 10 HG12 ILE 10 2.490 -1.704 -3.101
87 HG13 ILE 10 HG11 ILE 10 1.043 -2.113 -2.188
88 HG21 ILE 10 HG21 ILE 10 3.816 -3.772 -4.117
89 HG22 ILE 10 HG22 ILE 10 2.957 -5.306 -4.241
90 HG23 ILE 10 HG23 ILE 10 3.540 -4.744 -2.673
91 HD11 ILE 10 HD11 ILE 10 3.788 -3.152 -1.576
92 HD12 ILE 10 HD12 ILE 10 2.334 -3.363 -0.609
93 HD13 ILE 10 HD13 ILE 10 3.044 -1.762 -0.795
94 H CYS 11 HN CYS 11 -0.924 -4.758 -4.643
95 HA CYS 11 HA CYS 11 0.023 -6.470 -6.841
96 HB2 CYS 11 HB2 CYS 11 -1.058 -8.385 -5.848
97 HB3 CYS 11 HB1 CYS 11 0.013 -7.650 -4.662
98 H ARG 12 HN ARG 12 -2.381 -4.401 -5.715
99 HA ARG 12 HA ARG 12 -4.363 -3.666 -6.502
100 HB2 ARG 12 HB2 ARG 12 -3.401 -4.946 -9.065
101 HB3 ARG 12 HB1 ARG 12 -4.751 -3.827 -8.941
102 HG2 ARG 12 HG2 ARG 12 -1.901 -3.180 -8.214
103 HG3 ARG 12 HG1 ARG 12 -2.680 -2.760 -9.739
104 HD2 ARG 12 HD2 ARG 12 -4.270 -1.358 -8.586
105 HD3 ARG 12 HD1 ARG 12 -3.636 -1.866 -7.023
106 HE ARG 12 HE ARG 12 -1.506 -0.792 -8.419
107 HH11 ARG 12 HH11 ARG 12 -4.621 0.343 -7.284
108 HH12 ARG 12 HH12 ARG 12 -4.062 1.959 -6.984
109 HH21 ARG 12 HH21 ARG 12 -0.763 1.313 -8.007
110 HH22 ARG 12 HH22 ARG 12 -1.859 2.510 -7.394
111 H GLY 13 HN GLY 13 -4.227 -6.297 -5.271
112 HA2 GLY 13 HA2 GLY 13 -6.226 -7.858 -6.702
113 HA3 GLY 13 HA1 GLY 13 -5.377 -8.338 -5.241
114 H VAL 14 HN VAL 14 -5.990 -7.132 -3.237
115 HA VAL 14 HA VAL 14 -8.897 -6.701 -3.275
116 HB VAL 14 HB VAL 14 -9.001 -7.529 -0.990
117 HG11 VAL 14 HG11 VAL 14 -9.253 -9.153 -2.770
118 HG12 VAL 14 HG12 VAL 14 -8.424 -9.882 -1.393
119 HG13 VAL 14 HG13 VAL 14 -7.507 -9.398 -2.819
120 HG21 VAL 14 HG21 VAL 14 -6.036 -8.010 -1.245
121 HG22 VAL 14 HG22 VAL 14 -7.054 -8.538 0.097
122 HG23 VAL 14 HG23 VAL 14 -6.812 -6.816 -0.205
123 H ASP 15 HN ASP 15 -9.298 -5.660 -0.804
124 HA ASP 15 HA ASP 15 -8.662 -2.954 -1.174
125 HB2 ASP 15 HB2 ASP 15 -9.600 -2.618 1.089
126 HB3 ASP 15 HB1 ASP 15 -10.631 -3.627 0.082
127 H GLY 16 HN GLY 16 -7.220 -1.597 -0.233
128 HA2 GLY 16 HA2 GLY 16 -4.856 -2.812 0.959
129 HA3 GLY 16 HA1 GLY 16 -5.035 -1.129 0.469
130 H LYS 17 HN LYS 17 -6.308 -3.461 2.795
131 HA LYS 17 HA LYS 17 -7.480 -1.623 4.537
132 HB2 LYS 17 HB2 LYS 17 -7.185 -3.547 6.229
133 HB3 LYS 17 HB1 LYS 17 -8.187 -3.813 4.810
134 HG2 LYS 17 HG2 LYS 17 -6.529 -5.104 3.751
135 HG3 LYS 17 HG1 LYS 17 -5.293 -4.601 4.899
136 HD2 LYS 17 HD2 LYS 17 -5.793 -6.688 5.707
137 HD3 LYS 17 HD1 LYS 17 -6.919 -5.704 6.640
138 HE2 LYS 17 HE2 LYS 17 -7.543 -7.275 4.141
139 HE3 LYS 17 HE1 LYS 17 -8.033 -7.676 5.783
140 HZ1 LYS 17 HZ1 LYS 17 -9.283 -5.537 5.794
141 HZ2 LYS 17 HZ2 LYS 17 -9.871 -6.683 4.703
142 HZ3 LYS 17 HZ3 LYS 17 -8.949 -5.379 4.137
143 H TYR 18 HN TYR 18 -4.163 -2.666 4.282
144 HA TYR 18 HA TYR 18 -3.514 -1.183 6.731
145 HB2 TYR 18 HB2 TYR 18 -2.105 -3.379 5.244
146 HB3 TYR 18 HB1 TYR 18 -1.205 -2.315 6.317
147 HD1 TYR 18 HD1 TYR 18 -4.371 -4.290 6.397
148 HD2 TYR 18 HD2 TYR 18 -0.864 -3.080 8.458
149 HE1 TYR 18 HE1 TYR 18 -5.026 -5.691 8.298
150 HE2 TYR 18 HE2 TYR 18 -1.504 -4.478 10.378
151 HH TYR 18 HH TYR 18 -3.578 -5.449 11.343
152 H LYS 19 HN LYS 19 -1.691 0.280 6.681
153 HA LYS 19 HA LYS 19 -1.164 1.391 4.012
154 HB2 LYS 19 HB2 LYS 19 -3.044 2.556 5.281
155 HB3 LYS 19 HB1 LYS 19 -1.825 3.066 6.434
156 HG2 LYS 19 HG2 LYS 19 -1.438 3.703 3.552
157 HG3 LYS 19 HG1 LYS 19 -2.594 4.635 4.496
158 HD2 LYS 19 HD2 LYS 19 -0.603 4.812 6.188
159 HD3 LYS 19 HD1 LYS 19 0.364 4.447 4.756
160 HE2 LYS 19 HE2 LYS 19 -0.527 6.359 3.603
161 HE3 LYS 19 HE1 LYS 19 -1.660 6.673 4.915
162 HZ1 LYS 19 HZ1 LYS 19 0.214 7.127 6.374
163 HZ2 LYS 19 HZ2 LYS 19 0.239 8.149 5.029
164 HZ3 LYS 19 HZ3 LYS 19 1.301 6.839 5.110
165 H CYS 20 HN CYS 20 0.816 2.447 3.781
166 HA CYS 20 HA CYS 20 2.783 1.733 5.822
167 HB2 CYS 20 HB2 CYS 20 3.163 1.081 3.448
168 HB3 CYS 20 HB1 CYS 20 3.234 2.784 3.018
169 HA PRO 21 HA PRO 21 2.274 6.000 7.160
170 HB2 PRO 21 HB2 PRO 21 3.889 5.769 9.347
171 HB3 PRO 21 HB1 PRO 21 2.206 5.234 9.318
172 HG2 PRO 21 HG2 PRO 21 4.707 3.627 8.968
173 HG3 PRO 21 HG1 PRO 21 3.254 3.244 9.912
174 HD2 PRO 21 HD2 PRO 21 3.691 2.174 7.483
175 HD3 PRO 21 HD1 PRO 21 2.060 2.589 8.043
176 H LYS 22 HN LYS 22 5.027 4.389 6.041
177 HA LYS 22 HA LYS 22 6.877 6.564 6.436
178 HB2 LYS 22 HB2 LYS 22 7.150 4.133 4.664
179 HB3 LYS 22 HB1 LYS 22 8.439 5.221 5.144
180 HG2 LYS 22 HG2 LYS 22 6.889 3.399 6.971
181 HG3 LYS 22 HG1 LYS 22 8.528 3.134 6.380
182 HD2 LYS 22 HD2 LYS 22 9.018 5.439 7.466
183 HD3 LYS 22 HD1 LYS 22 7.529 5.138 8.364
184 HE2 LYS 22 HE2 LYS 22 10.021 3.444 8.324
185 HE3 LYS 22 HE1 LYS 22 9.370 4.355 9.683
186 HZ1 LYS 22 HZ1 LYS 22 7.449 2.886 9.694
187 HZ2 LYS 22 HZ2 LYS 22 8.879 2.004 9.880
188 HZ3 LYS 22 HZ3 LYS 22 8.080 2.010 8.391
189 H CYS 23 HN CYS 23 5.602 4.963 3.499
190 HA CYS 23 HA CYS 23 6.310 7.346 1.973
191 HB2 CYS 23 HB2 CYS 23 5.924 5.917 -0.002
192 HB3 CYS 23 HB1 CYS 23 7.091 5.211 1.104
193 H GLY 24 HN GLY 24 3.558 5.351 2.821
194 HA2 GLY 24 HA2 GLY 24 1.432 6.457 3.155
195 HA3 GLY 24 HA1 GLY 24 1.788 7.445 1.746
196 H VAL 25 HN VAL 25 2.700 4.182 1.424
197 HA VAL 25 HA VAL 25 0.800 3.853 -0.704
198 HB VAL 25 HB VAL 25 3.224 2.979 -0.624
199 HG11 VAL 25 HG11 VAL 25 3.253 0.529 0.108
200 HG12 VAL 25 HG12 VAL 25 1.836 0.941 1.076
201 HG13 VAL 25 HG13 VAL 25 3.370 1.774 1.347
202 HG21 VAL 25 HG21 VAL 25 1.699 2.506 -2.458
203 HG22 VAL 25 HG22 VAL 25 1.010 1.156 -1.555
204 HG23 VAL 25 HG23 VAL 25 2.689 1.094 -2.090
205 H ARG 26 HN ARG 26 -0.584 1.969 -0.904
206 HA ARG 26 HA ARG 26 -1.668 1.089 1.687
207 HB2 ARG 26 HB2 ARG 26 -3.000 1.883 -0.879
208 HB3 ARG 26 HB1 ARG 26 -3.787 0.716 0.176
209 HG2 ARG 26 HG2 ARG 26 -2.876 3.429 1.093
210 HG3 ARG 26 HG1 ARG 26 -4.501 3.085 0.495
211 HD2 ARG 26 HD2 ARG 26 -4.729 1.346 2.233
212 HD3 ARG 26 HD1 ARG 26 -3.148 1.802 2.861
213 HE ARG 26 HE ARG 26 -4.568 4.126 2.877
214 HH11 ARG 26 HH11 ARG 26 -5.135 0.920 4.146
215 HH12 ARG 26 HH12 ARG 26 -5.956 1.487 5.569
216 HH21 ARG 26 HH21 ARG 26 -5.685 4.879 4.722
217 HH22 ARG 26 HH22 ARG 26 -6.287 3.740 5.886
218 H TYR 27 HN TYR 27 -1.580 -1.033 2.067
219 HA TYR 27 HA TYR 27 -1.446 -2.850 -0.235
220 HB2 TYR 27 HB2 TYR 27 -0.055 -4.287 1.562
221 HB3 TYR 27 HB1 TYR 27 0.683 -3.261 0.348
222 HD1 TYR 27 HD1 TYR 27 -0.858 -2.666 3.694
223 HD2 TYR 27 HD2 TYR 27 2.508 -2.153 1.160
224 HE1 TYR 27 HE1 TYR 27 0.283 -1.406 5.459
225 HE2 TYR 27 HE2 TYR 27 3.658 -0.901 2.931
226 HH TYR 27 HH TYR 27 2.520 -0.846 6.142
227 H CYS 28 HN CYS 28 -2.087 -4.987 0.172
228 HA CYS 28 HA CYS 28 -4.587 -5.017 1.528
229 HB2 CYS 28 HB2 CYS 28 -4.796 -7.267 0.552
230 HB3 CYS 28 HB1 CYS 28 -4.314 -6.078 -0.647
231 H SER 29 HN SER 29 -1.394 -5.981 2.346
232 HA SER 29 HA SER 29 -1.964 -6.727 4.966
233 HB2 SER 29 HB2 SER 29 -3.087 -8.675 3.814
234 HB3 SER 29 HB1 SER 29 -1.512 -9.140 3.182
235 HG SER 29 HG SER 29 -2.482 -9.961 5.381
236 H LEU 30 HN LEU 30 0.022 -8.455 5.637
237 HA LEU 30 HA LEU 30 2.392 -6.960 5.215
238 HB2 LEU 30 HB2 LEU 30 1.996 -9.741 6.290
239 HB3 LEU 30 HB1 LEU 30 3.546 -8.928 6.256
240 HG LEU 30 HG LEU 30 1.120 -8.013 7.805
241 HD11 LEU 30 HD11 LEU 30 3.730 -9.202 8.730
242 HD12 LEU 30 HD12 LEU 30 2.164 -10.013 8.741
243 HD13 LEU 30 HD13 LEU 30 2.437 -8.607 9.770
244 HD21 LEU 30 HD21 LEU 30 2.464 -6.131 7.037
245 HD22 LEU 30 HD22 LEU 30 3.919 -6.891 7.678
246 HD23 LEU 30 HD23 LEU 30 2.645 -6.358 8.777
247 H LYS 31 HN LYS 31 0.843 -9.425 3.462
248 HA LYS 31 HA LYS 31 2.922 -10.713 2.167
249 HB2 LYS 31 HB2 LYS 31 0.227 -9.954 1.020
250 HB3 LYS 31 HB1 LYS 31 1.298 -11.190 0.380
251 HG2 LYS 31 HG2 LYS 31 0.067 -11.264 3.125
252 HG3 LYS 31 HG1 LYS 31 -0.583 -12.091 1.708
253 HD2 LYS 31 HD2 LYS 31 1.493 -13.371 1.507
254 HD3 LYS 31 HD1 LYS 31 2.142 -12.543 2.924
255 HE2 LYS 31 HE2 LYS 31 1.274 -14.758 3.493
256 HE3 LYS 31 HE1 LYS 31 0.373 -13.480 4.303
257 HZ1 LYS 31 HZ1 LYS 31 -0.514 -14.804 1.803
258 HZ2 LYS 31 HZ2 LYS 31 -1.399 -13.717 2.747
259 HZ3 LYS 31 HZ3 LYS 31 -1.033 -15.254 3.348
260 H CYS 32 HN CYS 32 1.519 -7.567 1.598
261 HA CYS 32 HA CYS 32 3.438 -7.128 -0.579
262 HB2 CYS 32 HB2 CYS 32 0.831 -5.733 0.034
263 HB3 CYS 32 HB1 CYS 32 1.963 -5.203 -1.206
264 H TYR 33 HN TYR 33 2.536 -6.192 2.605
265 HA TYR 33 HA TYR 33 3.760 -3.673 2.794
266 HB2 TYR 33 HB2 TYR 33 2.312 -4.860 4.550
267 HB3 TYR 33 HB1 TYR 33 3.756 -5.763 4.984
268 HD1 TYR 33 HD1 TYR 33 5.361 -2.986 4.287
269 HD2 TYR 33 HD2 TYR 33 2.328 -4.209 6.995
270 HE1 TYR 33 HE1 TYR 33 5.998 -1.157 5.811
271 HE2 TYR 33 HE2 TYR 33 2.964 -2.410 8.539
272 HH TYR 33 HH TYR 33 5.114 -1.041 8.991
273 H LYS 34 HN LYS 34 5.047 -6.887 3.641
274 HA LYS 34 HA LYS 34 7.723 -5.797 3.854
275 HB2 LYS 34 HB2 LYS 34 6.703 -8.614 4.230
276 HB3 LYS 34 HB1 LYS 34 8.340 -8.072 4.574
277 HG2 LYS 34 HG2 LYS 34 7.439 -6.518 6.262
278 HG3 LYS 34 HG1 LYS 34 5.823 -7.157 5.951
279 HD2 LYS 34 HD2 LYS 34 6.580 -9.390 6.612
280 HD3 LYS 34 HD1 LYS 34 8.194 -8.752 6.921
281 HE2 LYS 34 HE2 LYS 34 7.246 -7.266 8.643
282 HE3 LYS 34 HE1 LYS 34 5.659 -7.979 8.357
283 HZ1 LYS 34 HZ1 LYS 34 6.701 -9.003 10.253
284 HZ2 LYS 34 HZ2 LYS 34 8.067 -9.404 9.350
285 HZ3 LYS 34 HZ3 LYS 34 6.583 -10.139 9.008
286 H ASP 35 HN ASP 35 6.939 -5.403 1.372
287 HA ASP 35 HA ASP 35 8.317 -7.442 -0.228
288 HB2 ASP 35 HB2 ASP 35 5.973 -7.154 -0.871
289 HB3 ASP 35 HB1 ASP 35 6.208 -5.421 -1.036
290 H ALA 36 HN ALA 36 9.868 -6.710 -1.722
291 HA ALA 36 HA ALA 36 10.692 -3.901 -1.410
292 HB1 ALA 36 HB1 ALA 36 12.163 -5.363 -0.099
293 HB2 ALA 36 HB2 ALA 36 13.026 -4.592 -1.429
294 HB3 ALA 36 HB3 ALA 36 12.539 -6.283 -1.555
295 H ALA 37 HN ALA 37 9.256 -5.690 -3.480
296 HA ALA 37 HA ALA 37 11.006 -5.169 -5.785
297 HB1 ALA 37 HB1 ALA 37 10.230 -7.468 -5.582
298 HB2 ALA 37 HB2 ALA 37 9.523 -6.705 -7.005
299 HB3 ALA 37 HB3 ALA 37 8.555 -6.914 -5.543
300 H LYS 38 HN LYS 38 7.726 -4.765 -4.574
301 HA LYS 38 HA LYS 38 7.311 -2.633 -6.564
302 HB2 LYS 38 HB2 LYS 38 5.272 -4.444 -5.271
303 HB3 LYS 38 HB1 LYS 38 4.896 -3.118 -6.365
304 HG2 LYS 38 HG2 LYS 38 6.067 -4.214 -8.163
305 HG3 LYS 38 HG1 LYS 38 6.590 -5.501 -7.076
306 HD2 LYS 38 HD2 LYS 38 4.217 -6.077 -6.697
307 HD3 LYS 38 HD1 LYS 38 3.760 -4.862 -7.892
308 HE2 LYS 38 HE2 LYS 38 5.540 -7.240 -8.416
309 HE3 LYS 38 HE1 LYS 38 3.831 -7.141 -8.831
310 HZ1 LYS 38 HZ1 LYS 38 5.289 -6.646 -10.713
311 HZ2 LYS 38 HZ2 LYS 38 5.938 -5.332 -9.877
312 HZ3 LYS 38 HZ3 LYS 38 4.308 -5.328 -10.321
313 H HIS 39 HN HIS 39 7.000 -3.617 -3.202
314 HA HIS 39 HA HIS 39 6.153 -0.961 -2.394
315 HB2 HIS 39 HB2 HIS 39 5.542 -3.018 -1.059
316 HB3 HIS 39 HB1 HIS 39 7.242 -3.170 -0.626
317 HD1 HIS 39 HD1 HIS 39 7.301 -2.481 1.816
318 HD2 HIS 39 HD2 HIS 39 5.057 0.096 -0.543
319 HE1 HIS 39 HE1 HIS 39 6.677 -0.521 3.291
320 H VAL 40 HN VAL 40 7.683 0.487 -3.020
321 HA VAL 40 HA VAL 40 10.462 -0.149 -2.337
322 HB VAL 40 HB VAL 40 9.555 1.800 -4.452
323 HG11 VAL 40 HG11 VAL 40 12.244 0.547 -3.910
324 HG12 VAL 40 HG12 VAL 40 11.793 2.221 -3.585
325 HG13 VAL 40 HG13 VAL 40 11.865 1.632 -5.246
326 HG21 VAL 40 HG21 VAL 40 8.823 -0.438 -5.066
327 HG22 VAL 40 HG22 VAL 40 10.449 -1.061 -4.788
328 HG23 VAL 40 HG23 VAL 40 10.157 0.083 -6.098
329 H HIS 41 HN HIS 41 11.645 1.136 -1.172
330 HA HIS 41 HA HIS 41 10.495 3.706 -0.348
331 HB2 HIS 41 HB2 HIS 41 11.728 1.508 1.230
332 HB3 HIS 41 HB1 HIS 41 12.101 3.158 1.728
333 HD1 HIS 41 HD1 HIS 41 10.401 1.382 3.591
334 HD2 HIS 41 HD2 HIS 41 8.830 3.885 0.687
335 HE1 HIS 41 HE1 HIS 41 8.093 2.053 4.393
336 H LYS 42 HN LYS 42 11.873 3.764 -2.569
337 HA LYS 42 HA LYS 42 14.367 5.082 -1.823
338 HB2 LYS 42 HB2 LYS 42 14.951 2.755 -2.467
339 HB3 LYS 42 HB1 LYS 42 14.179 3.013 -4.024
340 HG2 LYS 42 HG2 LYS 42 15.810 4.810 -4.491
341 HG3 LYS 42 HG1 LYS 42 16.617 4.428 -2.969
342 HD2 LYS 42 HD2 LYS 42 16.983 2.125 -3.776
343 HD3 LYS 42 HD1 LYS 42 16.243 2.568 -5.314
344 HE2 LYS 42 HE2 LYS 42 17.987 4.220 -5.699
345 HE3 LYS 42 HE1 LYS 42 18.715 3.836 -4.139
346 HZ1 LYS 42 HZ1 LYS 42 18.446 1.980 -6.441
347 HZ2 LYS 42 HZ2 LYS 42 19.101 1.578 -4.936
348 HZ3 LYS 42 HZ3 LYS 42 19.876 2.716 -5.916
349 H GLU 43 HN GLU 43 13.339 7.018 -2.279
350 HA GLU 43 HA GLU 43 12.626 8.784 -3.511
351 HB2 GLU 43 HB2 GLU 43 13.903 7.302 -5.813
352 HB3 GLU 43 HB1 GLU 43 13.433 8.996 -5.817
353 HG2 GLU 43 HG2 GLU 43 15.037 9.396 -3.978
354 HG3 GLU 43 HG1 GLU 43 15.554 7.717 -4.119
355 H SER 44 HN SER 44 10.960 6.371 -3.233
356 HA SER 44 HA SER 44 9.241 6.678 -5.597
357 HB2 SER 44 HB2 SER 44 8.348 4.388 -4.672
358 HB3 SER 44 HB1 SER 44 9.848 4.436 -5.602
359 HG SER 44 HG SER 44 9.432 3.917 -2.911
360 H GLU 45 HN GLU 45 7.005 6.827 -5.289
361 HA GLU 45 HA GLU 45 5.137 7.697 -4.359
362 HB2 GLU 45 HB2 GLU 45 5.411 5.605 -2.949
363 HB3 GLU 45 HB1 GLU 45 6.155 6.625 -1.728
364 HG2 GLU 45 HG2 GLU 45 3.794 6.182 -1.262
365 HG3 GLU 45 HG1 GLU 45 4.118 7.899 -1.490
366 H GLN 46 HN GLN 46 7.392 9.315 -4.668
367 HA GLN 46 HA GLN 46 6.669 11.504 -2.956
368 HB2 GLN 46 HB2 GLN 46 8.350 10.360 -1.563
369 HB3 GLN 46 HB1 GLN 46 9.503 10.445 -2.888
370 HG2 GLN 46 HG2 GLN 46 9.944 12.171 -1.242
371 HG3 GLN 46 HG1 GLN 46 9.459 12.881 -2.780
372 HE21 GLN 46 HE21 GLN 46 7.417 13.854 -2.955
373 HE22 GLN 46 HE22 GLN 46 6.519 14.334 -1.557
Start of MODEL 11
1 H1 GLY -2 HT1 GLY -2 -13.864 12.181 -1.986
2 H2 GLY -2 HT2 GLY -2 -13.112 13.682 -2.167
3 H3 GLY -2 HT3 GLY -2 -14.546 13.353 -2.995
4 HA2 GLY -2 HA1 GLY -2 -14.999 14.777 -1.118
5 HA3 GLY -2 HA2 GLY -2 -15.751 13.201 -0.910
6 HA PRO -1 HA PRO -1 -11.808 13.802 1.969
7 HB2 PRO -1 HB2 PRO -1 -12.502 16.491 2.956
8 HB3 PRO -1 HB1 PRO -1 -10.938 15.846 2.452
9 HG2 PRO -1 HG2 PRO -1 -12.268 17.627 0.955
10 HG3 PRO -1 HG1 PRO -1 -11.304 16.329 0.226
11 HD2 PRO -1 HD2 PRO -1 -14.272 16.517 0.582
12 HD3 PRO -1 HD1 PRO -1 -13.338 15.914 -0.804
13 H HIS 0 HN HIS 0 -14.988 15.192 2.573
14 HA HIS 0 HA HIS 0 -14.950 14.713 5.385
15 HB2 HIS 0 HB2 HIS 0 -16.379 16.445 4.406
16 HB3 HIS 0 HB1 HIS 0 -17.273 15.222 3.511
17 HD1 HIS 0 HD1 HIS 0 -19.445 14.741 4.551
18 HD2 HIS 0 HD2 HIS 0 -16.576 15.738 7.388
19 HE1 HIS 0 HE1 HIS 0 -20.624 14.646 6.767
20 HE2 HIS 0 HE2 HIS 0 -18.916 15.431 8.441
21 H MET 1 HN MET 1 -15.945 12.897 2.579
22 HA MET 1 HA MET 1 -17.269 10.875 4.189
23 HB2 MET 1 HB2 MET 1 -16.806 11.082 1.211
24 HB3 MET 1 HB1 MET 1 -17.660 9.757 1.985
25 HG2 MET 1 HG2 MET 1 -18.475 12.651 2.035
26 HG3 MET 1 HG1 MET 1 -19.198 11.385 1.043
27 HE1 MET 1 HE1 MET 1 -20.542 9.338 2.012
28 HE2 MET 1 HE2 MET 1 -20.879 9.088 3.725
29 HE3 MET 1 HE3 MET 1 -19.235 8.909 3.115
30 H VAL 2 HN VAL 2 -14.882 10.605 1.579
31 HA VAL 2 HA VAL 2 -13.375 8.945 1.138
32 HB VAL 2 HB VAL 2 -12.135 10.758 2.277
33 HG11 VAL 2 HG11 VAL 2 -11.311 10.453 4.558
34 HG12 VAL 2 HG12 VAL 2 -12.348 9.037 4.736
35 HG13 VAL 2 HG13 VAL 2 -13.066 10.630 4.502
36 HG21 VAL 2 HG21 VAL 2 -10.918 8.959 1.236
37 HG22 VAL 2 HG22 VAL 2 -11.044 7.984 2.700
38 HG23 VAL 2 HG23 VAL 2 -10.090 9.466 2.707
39 H SER 3 HN SER 3 -15.529 7.619 1.917
40 HA SER 3 HA SER 3 -14.454 5.473 3.612
41 HB2 SER 3 HB2 SER 3 -17.296 6.515 3.589
42 HB3 SER 3 HB1 SER 3 -16.742 5.099 4.483
43 HG SER 3 HG SER 3 -15.588 7.671 4.825
44 H SER 4 HN SER 4 -14.348 5.697 0.756
45 HA SER 4 HA SER 4 -16.215 3.579 -0.051
46 HB2 SER 4 HB2 SER 4 -16.217 5.625 -1.447
47 HB3 SER 4 HB1 SER 4 -14.508 5.380 -1.793
48 HG SER 4 HG SER 4 -15.342 3.185 -2.536
49 H ALA 5 HN ALA 5 -13.475 3.674 1.422
50 HA ALA 5 HA ALA 5 -11.774 2.221 1.766
51 HB1 ALA 5 HB1 ALA 5 -13.155 0.465 -0.260
52 HB2 ALA 5 HB2 ALA 5 -13.513 0.497 1.467
53 HB3 ALA 5 HB3 ALA 5 -11.928 -0.036 0.905
54 H VAL 6 HN VAL 6 -10.300 0.609 0.206
55 HA VAL 6 HA VAL 6 -9.392 2.090 -2.088
56 HB VAL 6 HB VAL 6 -8.571 3.277 0.056
57 HG11 VAL 6 HG11 VAL 6 -6.682 0.934 0.060
58 HG12 VAL 6 HG12 VAL 6 -7.888 1.303 1.291
59 HG13 VAL 6 HG13 VAL 6 -6.524 2.392 1.040
60 HG21 VAL 6 HG21 VAL 6 -7.745 3.795 -2.132
61 HG22 VAL 6 HG22 VAL 6 -6.624 2.434 -2.066
62 HG23 VAL 6 HG23 VAL 6 -6.422 3.801 -0.969
63 H LYS 7 HN LYS 7 -7.727 0.914 -3.226
64 HA LYS 7 HA LYS 7 -7.714 -1.921 -2.460
65 HB2 LYS 7 HB2 LYS 7 -7.135 -0.692 -5.161
66 HB3 LYS 7 HB1 LYS 7 -7.271 -2.408 -4.803
67 HG2 LYS 7 HG2 LYS 7 -9.476 -0.381 -4.622
68 HG3 LYS 7 HG1 LYS 7 -9.281 -1.624 -5.860
69 HD2 LYS 7 HD2 LYS 7 -9.486 -3.355 -4.122
70 HD3 LYS 7 HD1 LYS 7 -9.733 -2.092 -2.912
71 HE2 LYS 7 HE2 LYS 7 -11.706 -1.331 -4.204
72 HE3 LYS 7 HE1 LYS 7 -11.487 -2.712 -5.274
73 HZ1 LYS 7 HZ1 LYS 7 -13.143 -3.120 -3.540
74 HZ2 LYS 7 HZ2 LYS 7 -11.965 -2.892 -2.343
75 HZ3 LYS 7 HZ3 LYS 7 -11.844 -4.191 -3.427
76 H CYS 8 HN CYS 8 -5.800 -3.180 -2.817
77 HA CYS 8 HA CYS 8 -3.491 -2.031 -1.697
78 HB2 CYS 8 HB2 CYS 8 -4.070 -4.444 -1.614
79 HB3 CYS 8 HB1 CYS 8 -3.710 -4.569 -3.326
80 H GLY 9 HN GLY 9 -2.124 -0.662 -2.617
81 HA2 GLY 9 HA2 GLY 9 -2.103 -0.309 -5.485
82 HA3 GLY 9 HA1 GLY 9 -1.223 0.646 -4.301
83 H ILE 10 HN ILE 10 -0.793 -2.697 -3.908
84 HA ILE 10 HA ILE 10 1.842 -2.463 -5.187
85 HB ILE 10 HB ILE 10 1.086 -4.237 -2.863
86 HG12 ILE 10 HG12 ILE 10 2.387 -1.519 -3.004
87 HG13 ILE 10 HG11 ILE 10 0.990 -2.011 -2.057
88 HG21 ILE 10 HG21 ILE 10 3.782 -3.559 -4.019
89 HG22 ILE 10 HG22 ILE 10 2.931 -5.084 -4.251
90 HG23 ILE 10 HG23 ILE 10 3.476 -4.613 -2.640
91 HD11 ILE 10 HD11 ILE 10 2.405 -3.310 -0.595
92 HD12 ILE 10 HD12 ILE 10 2.976 -1.646 -0.686
93 HD13 ILE 10 HD13 ILE 10 3.812 -2.915 -1.576
94 H CYS 11 HN CYS 11 -0.906 -4.632 -4.638
95 HA CYS 11 HA CYS 11 0.106 -6.232 -6.893
96 HB2 CYS 11 HB2 CYS 11 -0.921 -8.208 -5.972
97 HB3 CYS 11 HB1 CYS 11 0.106 -7.473 -4.744
98 H ARG 12 HN ARG 12 -2.409 -4.319 -5.674
99 HA ARG 12 HA ARG 12 -4.352 -3.556 -6.520
100 HB2 ARG 12 HB2 ARG 12 -3.348 -4.823 -9.077
101 HB3 ARG 12 HB1 ARG 12 -4.723 -3.732 -8.969
102 HG2 ARG 12 HG2 ARG 12 -1.892 -3.024 -8.218
103 HG3 ARG 12 HG1 ARG 12 -2.676 -2.612 -9.744
104 HD2 ARG 12 HD2 ARG 12 -4.325 -1.284 -8.572
105 HD3 ARG 12 HD1 ARG 12 -3.640 -1.754 -7.020
106 HE ARG 12 HE ARG 12 -1.573 -0.585 -8.420
107 HH11 ARG 12 HH11 ARG 12 -4.768 0.387 -7.369
108 HH12 ARG 12 HH12 ARG 12 -4.330 2.048 -7.149
109 HH21 ARG 12 HH21 ARG 12 -1.002 1.621 -8.139
110 HH22 ARG 12 HH22 ARG 12 -2.197 2.751 -7.587
111 H GLY 13 HN GLY 13 -4.258 -6.137 -5.240
112 HA2 GLY 13 HA2 GLY 13 -6.212 -7.743 -6.677
113 HA3 GLY 13 HA1 GLY 13 -5.404 -8.178 -5.180
114 H VAL 14 HN VAL 14 -6.112 -7.093 -3.204
115 HA VAL 14 HA VAL 14 -8.999 -6.562 -3.351
116 HB VAL 14 HB VAL 14 -9.222 -7.436 -1.115
117 HG11 VAL 14 HG11 VAL 14 -9.335 -9.065 -2.887
118 HG12 VAL 14 HG12 VAL 14 -8.550 -9.777 -1.478
119 HG13 VAL 14 HG13 VAL 14 -7.583 -9.261 -2.859
120 HG21 VAL 14 HG21 VAL 14 -7.288 -8.450 0.060
121 HG22 VAL 14 HG22 VAL 14 -7.162 -6.701 -0.119
122 HG23 VAL 14 HG23 VAL 14 -6.228 -7.763 -1.170
123 H ASP 15 HN ASP 15 -9.456 -5.569 -0.854
124 HA ASP 15 HA ASP 15 -8.747 -2.863 -1.134
125 HB2 ASP 15 HB2 ASP 15 -9.865 -4.334 1.261
126 HB3 ASP 15 HB1 ASP 15 -9.716 -2.585 1.155
127 H GLY 16 HN GLY 16 -7.265 -1.597 -0.158
128 HA2 GLY 16 HA2 GLY 16 -4.962 -2.909 1.031
129 HA3 GLY 16 HA1 GLY 16 -5.103 -1.203 0.618
130 H LYS 17 HN LYS 17 -6.201 -3.647 2.900
131 HA LYS 17 HA LYS 17 -7.435 -1.935 4.731
132 HB2 LYS 17 HB2 LYS 17 -6.981 -3.854 6.369
133 HB3 LYS 17 HB1 LYS 17 -7.976 -4.185 4.960
134 HG2 LYS 17 HG2 LYS 17 -6.282 -5.383 3.894
135 HG3 LYS 17 HG1 LYS 17 -5.032 -4.734 4.952
136 HD2 LYS 17 HD2 LYS 17 -5.458 -6.996 5.606
137 HD3 LYS 17 HD1 LYS 17 -6.120 -5.932 6.846
138 HE2 LYS 17 HE2 LYS 17 -8.347 -6.181 5.847
139 HE3 LYS 17 HE1 LYS 17 -7.675 -7.286 4.650
140 HZ1 LYS 17 HZ1 LYS 17 -7.006 -8.742 6.498
141 HZ2 LYS 17 HZ2 LYS 17 -8.680 -8.531 6.415
142 HZ3 LYS 17 HZ3 LYS 17 -7.782 -7.705 7.584
143 H TYR 18 HN TYR 18 -4.065 -2.748 4.323
144 HA TYR 18 HA TYR 18 -3.433 -1.200 6.740
145 HB2 TYR 18 HB2 TYR 18 -1.918 -3.342 5.266
146 HB3 TYR 18 HB1 TYR 18 -1.088 -2.228 6.339
147 HD1 TYR 18 HD1 TYR 18 -4.257 -4.211 6.534
148 HD2 TYR 18 HD2 TYR 18 -0.563 -3.176 8.360
149 HE1 TYR 18 HE1 TYR 18 -4.799 -5.670 8.430
150 HE2 TYR 18 HE2 TYR 18 -1.096 -4.625 10.271
151 HH TYR 18 HH TYR 18 -3.653 -6.879 10.202
152 H LYS 19 HN LYS 19 -1.753 0.394 6.612
153 HA LYS 19 HA LYS 19 -1.213 1.374 3.897
154 HB2 LYS 19 HB2 LYS 19 -3.214 2.510 4.992
155 HB3 LYS 19 HB1 LYS 19 -2.084 3.168 6.163
156 HG2 LYS 19 HG2 LYS 19 -1.563 3.615 3.267
157 HG3 LYS 19 HG1 LYS 19 -2.833 4.541 4.061
158 HD2 LYS 19 HD2 LYS 19 -1.053 5.101 5.823
159 HD3 LYS 19 HD1 LYS 19 0.110 4.501 4.635
160 HE2 LYS 19 HE2 LYS 19 -0.492 6.156 3.068
161 HE3 LYS 19 HE1 LYS 19 -1.935 6.599 3.975
162 HZ1 LYS 19 HZ1 LYS 19 -0.223 8.242 4.281
163 HZ2 LYS 19 HZ2 LYS 19 0.873 7.075 4.817
164 HZ3 LYS 19 HZ3 LYS 19 -0.492 7.441 5.746
165 H CYS 20 HN CYS 20 0.717 2.527 3.673
166 HA CYS 20 HA CYS 20 2.605 2.077 5.872
167 HB2 CYS 20 HB2 CYS 20 3.102 1.235 3.555
168 HB3 CYS 20 HB1 CYS 20 3.218 2.907 3.029
169 HA PRO 21 HA PRO 21 1.953 6.481 6.643
170 HB2 PRO 21 HB2 PRO 21 3.348 6.550 8.971
171 HB3 PRO 21 HB1 PRO 21 1.695 5.935 8.856
172 HG2 PRO 21 HG2 PRO 21 4.280 4.417 8.887
173 HG3 PRO 21 HG1 PRO 21 2.780 4.085 9.774
174 HD2 PRO 21 HD2 PRO 21 3.416 2.753 7.520
175 HD3 PRO 21 HD1 PRO 21 1.738 3.168 7.923
176 H LYS 22 HN LYS 22 4.715 4.892 5.690
177 HA LYS 22 HA LYS 22 6.478 7.191 6.037
178 HB2 LYS 22 HB2 LYS 22 7.006 4.494 4.782
179 HB3 LYS 22 HB1 LYS 22 8.211 5.737 5.076
180 HG2 LYS 22 HG2 LYS 22 6.611 4.336 7.199
181 HG3 LYS 22 HG1 LYS 22 8.267 3.936 6.741
182 HD2 LYS 22 HD2 LYS 22 7.305 6.546 7.912
183 HD3 LYS 22 HD1 LYS 22 8.261 5.316 8.739
184 HE2 LYS 22 HE2 LYS 22 10.067 5.668 7.085
185 HE3 LYS 22 HE1 LYS 22 9.116 6.963 6.362
186 HZ1 LYS 22 HZ1 LYS 22 10.181 6.903 9.131
187 HZ2 LYS 22 HZ2 LYS 22 9.197 8.126 8.499
188 HZ3 LYS 22 HZ3 LYS 22 10.739 7.870 7.861
189 H CYS 23 HN CYS 23 5.567 5.072 3.319
190 HA CYS 23 HA CYS 23 6.351 7.196 1.484
191 HB2 CYS 23 HB2 CYS 23 6.221 5.456 -0.264
192 HB3 CYS 23 HB1 CYS 23 7.266 4.975 1.061
193 H GLY 24 HN GLY 24 3.549 5.518 2.647
194 HA2 GLY 24 HA2 GLY 24 1.426 6.563 2.647
195 HA3 GLY 24 HA1 GLY 24 1.887 7.450 1.202
196 H VAL 25 HN VAL 25 2.607 4.100 1.388
197 HA VAL 25 HA VAL 25 0.858 3.655 -0.882
198 HB VAL 25 HB VAL 25 3.307 2.880 -0.724
199 HG11 VAL 25 HG11 VAL 25 1.986 0.757 0.954
200 HG12 VAL 25 HG12 VAL 25 3.340 1.806 1.392
201 HG13 VAL 25 HG13 VAL 25 3.552 0.559 0.165
202 HG21 VAL 25 HG21 VAL 25 2.855 0.901 -2.093
203 HG22 VAL 25 HG22 VAL 25 1.838 2.268 -2.548
204 HG23 VAL 25 HG23 VAL 25 1.165 0.949 -1.590
205 H ARG 26 HN ARG 26 -0.524 1.844 -0.999
206 HA ARG 26 HA ARG 26 -1.642 1.015 1.589
207 HB2 ARG 26 HB2 ARG 26 -2.921 1.535 -1.086
208 HB3 ARG 26 HB1 ARG 26 -3.709 0.516 0.109
209 HG2 ARG 26 HG2 ARG 26 -2.836 3.331 0.679
210 HG3 ARG 26 HG1 ARG 26 -4.436 2.917 0.056
211 HD2 ARG 26 HD2 ARG 26 -4.758 1.429 2.005
212 HD3 ARG 26 HD1 ARG 26 -3.205 1.967 2.639
213 HE ARG 26 HE ARG 26 -4.434 4.292 2.375
214 HH11 ARG 26 HH11 ARG 26 -5.676 1.262 3.618
215 HH12 ARG 26 HH12 ARG 26 -6.757 2.020 4.745
216 HH21 ARG 26 HH21 ARG 26 -5.860 5.298 3.858
217 HH22 ARG 26 HH22 ARG 26 -6.861 4.317 4.880
218 H TYR 27 HN TYR 27 -1.607 -1.108 2.037
219 HA TYR 27 HA TYR 27 -1.313 -2.961 -0.209
220 HB2 TYR 27 HB2 TYR 27 0.061 -4.321 1.683
221 HB3 TYR 27 HB1 TYR 27 0.808 -3.325 0.450
222 HD1 TYR 27 HD1 TYR 27 -0.821 -2.621 3.737
223 HD2 TYR 27 HD2 TYR 27 2.612 -2.172 1.279
224 HE1 TYR 27 HE1 TYR 27 0.269 -1.291 5.492
225 HE2 TYR 27 HE2 TYR 27 3.705 -0.847 3.038
226 HH TYR 27 HH TYR 27 3.281 0.336 5.001
227 H CYS 28 HN CYS 28 -2.098 -4.992 0.060
228 HA CYS 28 HA CYS 28 -4.561 -5.086 1.450
229 HB2 CYS 28 HB2 CYS 28 -4.758 -7.323 0.432
230 HB3 CYS 28 HB1 CYS 28 -4.291 -6.102 -0.742
231 H SER 29 HN SER 29 -1.371 -6.055 2.257
232 HA SER 29 HA SER 29 -1.930 -6.759 4.876
233 HB2 SER 29 HB2 SER 29 -3.062 -8.732 3.684
234 HB3 SER 29 HB1 SER 29 -1.448 -9.252 3.223
235 HG SER 29 HG SER 29 -2.412 -8.880 5.875
236 H LEU 30 HN LEU 30 -0.009 -8.607 5.479
237 HA LEU 30 HA LEU 30 2.386 -7.153 5.228
238 HB2 LEU 30 HB2 LEU 30 1.786 -9.943 6.144
239 HB3 LEU 30 HB1 LEU 30 3.428 -9.335 6.080
240 HG LEU 30 HG LEU 30 1.184 -8.167 7.733
241 HD11 LEU 30 HD11 LEU 30 1.926 -10.315 8.584
242 HD12 LEU 30 HD12 LEU 30 2.479 -9.013 9.636
243 HD13 LEU 30 HD13 LEU 30 3.606 -9.781 8.518
244 HD21 LEU 30 HD21 LEU 30 2.924 -6.772 8.728
245 HD22 LEU 30 HD22 LEU 30 2.785 -6.465 6.997
246 HD23 LEU 30 HD23 LEU 30 4.112 -7.445 7.614
247 H LYS 31 HN LYS 31 0.913 -9.501 3.201
248 HA LYS 31 HA LYS 31 3.172 -10.654 2.013
249 HB2 LYS 31 HB2 LYS 31 0.469 -10.142 0.760
250 HB3 LYS 31 HB1 LYS 31 1.682 -11.265 0.160
251 HG2 LYS 31 HG2 LYS 31 0.214 -11.453 2.783
252 HG3 LYS 31 HG1 LYS 31 -0.051 -12.454 1.353
253 HD2 LYS 31 HD2 LYS 31 2.270 -13.282 1.546
254 HD3 LYS 31 HD1 LYS 31 2.465 -12.332 3.019
255 HE2 LYS 31 HE2 LYS 31 0.579 -13.592 4.021
256 HE3 LYS 31 HE1 LYS 31 0.523 -14.594 2.573
257 HZ1 LYS 31 HZ1 LYS 31 2.854 -14.341 4.395
258 HZ2 LYS 31 HZ2 LYS 31 2.768 -15.330 3.026
259 HZ3 LYS 31 HZ3 LYS 31 1.778 -15.643 4.357
260 H CYS 32 HN CYS 32 1.545 -7.629 1.414
261 HA CYS 32 HA CYS 32 3.475 -7.021 -0.704
262 HB2 CYS 32 HB2 CYS 32 0.838 -5.731 0.001
263 HB3 CYS 32 HB1 CYS 32 1.940 -5.113 -1.226
264 H TYR 33 HN TYR 33 2.542 -6.253 2.519
265 HA TYR 33 HA TYR 33 3.705 -3.729 2.854
266 HB2 TYR 33 HB2 TYR 33 2.289 -5.095 4.521
267 HB3 TYR 33 HB1 TYR 33 3.783 -5.926 4.932
268 HD1 TYR 33 HD1 TYR 33 5.179 -3.012 4.353
269 HD2 TYR 33 HD2 TYR 33 2.269 -4.572 7.013
270 HE1 TYR 33 HE1 TYR 33 5.677 -1.190 5.948
271 HE2 TYR 33 HE2 TYR 33 2.780 -2.799 8.634
272 HH TYR 33 HH TYR 33 4.707 -0.069 7.825
273 H LYS 34 HN LYS 34 5.051 -6.931 3.480
274 HA LYS 34 HA LYS 34 7.725 -5.836 3.729
275 HB2 LYS 34 HB2 LYS 34 6.908 -8.721 3.970
276 HB3 LYS 34 HB1 LYS 34 8.293 -7.914 4.695
277 HG2 LYS 34 HG2 LYS 34 6.759 -6.599 6.092
278 HG3 LYS 34 HG1 LYS 34 5.402 -7.472 5.403
279 HD2 LYS 34 HD2 LYS 34 6.004 -8.412 7.566
280 HD3 LYS 34 HD1 LYS 34 6.307 -9.577 6.278
281 HE2 LYS 34 HE2 LYS 34 8.130 -9.565 7.895
282 HE3 LYS 34 HE1 LYS 34 8.684 -9.011 6.318
283 HZ1 LYS 34 HZ1 LYS 34 7.955 -7.228 8.576
284 HZ2 LYS 34 HZ2 LYS 34 8.609 -6.752 7.091
285 HZ3 LYS 34 HZ3 LYS 34 9.534 -7.670 8.166
286 H ASP 35 HN ASP 35 6.621 -5.675 1.142
287 HA ASP 35 HA ASP 35 8.133 -7.689 -0.357
288 HB2 ASP 35 HB2 ASP 35 5.812 -7.447 -1.081
289 HB3 ASP 35 HB1 ASP 35 6.036 -5.714 -1.293
290 H ALA 36 HN ALA 36 9.787 -7.092 -1.682
291 HA ALA 36 HA ALA 36 10.628 -4.277 -1.491
292 HB1 ALA 36 HB1 ALA 36 12.069 -5.779 -0.200
293 HB2 ALA 36 HB2 ALA 36 12.939 -5.041 -1.544
294 HB3 ALA 36 HB3 ALA 36 12.397 -6.714 -1.658
295 H ALA 37 HN ALA 37 9.055 -5.863 -3.574
296 HA ALA 37 HA ALA 37 10.829 -5.426 -5.883
297 HB1 ALA 37 HB1 ALA 37 9.241 -6.767 -7.159
298 HB2 ALA 37 HB2 ALA 37 8.197 -6.899 -5.744
299 HB3 ALA 37 HB3 ALA 37 9.794 -7.645 -5.734
300 H LYS 38 HN LYS 38 7.591 -4.773 -4.656
301 HA LYS 38 HA LYS 38 7.293 -2.556 -6.571
302 HB2 LYS 38 HB2 LYS 38 5.361 -4.115 -4.881
303 HB3 LYS 38 HB1 LYS 38 4.910 -2.572 -5.590
304 HG2 LYS 38 HG2 LYS 38 5.918 -4.900 -7.195
305 HG3 LYS 38 HG1 LYS 38 4.211 -4.606 -6.864
306 HD2 LYS 38 HD2 LYS 38 4.488 -2.342 -7.885
307 HD3 LYS 38 HD1 LYS 38 6.117 -2.823 -8.364
308 HE2 LYS 38 HE2 LYS 38 5.178 -4.688 -9.643
309 HE3 LYS 38 HE1 LYS 38 3.555 -4.182 -9.175
310 HZ1 LYS 38 HZ1 LYS 38 5.468 -2.555 -10.760
311 HZ2 LYS 38 HZ2 LYS 38 3.891 -2.106 -10.346
312 HZ3 LYS 38 HZ3 LYS 38 4.154 -3.408 -11.391
313 H HIS 39 HN HIS 39 7.045 -3.375 -3.149
314 HA HIS 39 HA HIS 39 6.682 -0.630 -2.359
315 HB2 HIS 39 HB2 HIS 39 5.673 -2.614 -1.162
316 HB3 HIS 39 HB1 HIS 39 7.290 -3.020 -0.605
317 HD1 HIS 39 HD1 HIS 39 6.904 -2.567 1.894
318 HD2 HIS 39 HD2 HIS 39 5.871 0.624 -0.566
319 HE1 HIS 39 HE1 HIS 39 6.473 -0.595 3.419
320 H VAL 40 HN VAL 40 8.402 0.670 -2.620
321 HA VAL 40 HA VAL 40 11.005 -0.317 -1.685
322 HB VAL 40 HB VAL 40 10.557 1.753 -3.839
323 HG11 VAL 40 HG11 VAL 40 12.954 1.494 -4.266
324 HG12 VAL 40 HG12 VAL 40 13.072 0.370 -2.913
325 HG13 VAL 40 HG13 VAL 40 12.645 2.056 -2.624
326 HG21 VAL 40 HG21 VAL 40 11.322 0.049 -5.422
327 HG22 VAL 40 HG22 VAL 40 9.840 -0.451 -4.606
328 HG23 VAL 40 HG23 VAL 40 11.391 -1.134 -4.116
329 H HIS 41 HN HIS 41 12.078 0.822 -0.243
330 HA HIS 41 HA HIS 41 11.060 3.486 0.469
331 HB2 HIS 41 HB2 HIS 41 11.675 1.136 2.157
332 HB3 HIS 41 HB1 HIS 41 12.196 2.698 2.779
333 HD1 HIS 41 HD1 HIS 41 10.145 1.468 4.473
334 HD2 HIS 41 HD2 HIS 41 9.099 3.620 1.075
335 HE1 HIS 41 HE1 HIS 41 7.825 2.383 4.886
336 H LYS 42 HN LYS 42 12.589 4.955 1.352
337 HA LYS 42 HA LYS 42 15.056 4.860 -0.120
338 HB2 LYS 42 HB2 LYS 42 13.923 6.956 1.734
339 HB3 LYS 42 HB1 LYS 42 15.372 7.158 0.760
340 HG2 LYS 42 HG2 LYS 42 12.603 6.659 -0.313
341 HG3 LYS 42 HG1 LYS 42 13.416 8.223 -0.252
342 HD2 LYS 42 HD2 LYS 42 15.173 7.366 -1.722
343 HD3 LYS 42 HD1 LYS 42 14.369 5.797 -1.771
344 HE2 LYS 42 HE2 LYS 42 12.423 6.808 -2.820
345 HE3 LYS 42 HE1 LYS 42 13.183 8.397 -2.730
346 HZ1 LYS 42 HZ1 LYS 42 14.911 7.628 -4.210
347 HZ2 LYS 42 HZ2 LYS 42 13.399 7.400 -4.926
348 HZ3 LYS 42 HZ3 LYS 42 14.226 6.085 -4.269
349 H GLU 43 HN GLU 43 14.185 3.667 2.837
350 HA GLU 43 HA GLU 43 16.678 4.199 4.184
351 HB2 GLU 43 HB2 GLU 43 14.476 2.228 4.821
352 HB3 GLU 43 HB1 GLU 43 15.883 2.508 5.832
353 HG2 GLU 43 HG2 GLU 43 14.181 3.747 6.825
354 HG3 GLU 43 HG1 GLU 43 15.134 4.934 5.936
355 H SER 44 HN SER 44 15.782 2.299 1.647
356 HA SER 44 HA SER 44 17.827 0.269 2.219
357 HB2 SER 44 HB2 SER 44 15.604 0.184 0.163
358 HB3 SER 44 HB1 SER 44 16.714 -1.128 0.559
359 HG SER 44 HG SER 44 14.435 -0.854 1.610
360 H GLU 45 HN GLU 45 18.220 3.055 1.235
361 HA GLU 45 HA GLU 45 18.999 2.799 -1.530
362 HB2 GLU 45 HB2 GLU 45 19.367 5.009 0.491
363 HB3 GLU 45 HB1 GLU 45 19.939 5.110 -1.166
364 HG2 GLU 45 HG2 GLU 45 17.076 4.727 -0.332
365 HG3 GLU 45 HG1 GLU 45 17.801 6.251 -0.841
366 H GLN 46 HN GLN 46 20.315 0.839 -0.606
367 HA GLN 46 HA GLN 46 23.056 1.776 -0.101
368 HB2 GLN 46 HB2 GLN 46 21.725 -0.800 0.759
369 HB3 GLN 46 HB1 GLN 46 23.449 -0.482 0.916
370 HG2 GLN 46 HG2 GLN 46 22.959 1.417 2.375
371 HG3 GLN 46 HG1 GLN 46 21.237 1.082 2.229
372 HE21 GLN 46 HE21 GLN 46 21.037 0.799 4.438
373 HE22 GLN 46 HE22 GLN 46 21.624 -0.614 5.245
Start of MODEL 12
1 H1 GLY -2 HT1 GLY -2 -16.121 12.092 1.916
2 H2 GLY -2 HT2 GLY -2 -16.913 10.746 1.273
3 H3 GLY -2 HT3 GLY -2 -17.301 11.290 2.825
4 HA2 GLY -2 HA1 GLY -2 -19.009 11.948 1.270
5 HA3 GLY -2 HA2 GLY -2 -18.167 13.352 1.912
6 HA PRO -1 HA PRO -1 -18.244 14.337 -2.543
7 HB2 PRO -1 HB2 PRO -1 -16.904 16.735 -1.391
8 HB3 PRO -1 HB1 PRO -1 -18.239 16.638 -2.545
9 HG2 PRO -1 HG2 PRO -1 -18.689 17.302 -0.010
10 HG3 PRO -1 HG1 PRO -1 -19.815 16.250 -0.887
11 HD2 PRO -1 HD2 PRO -1 -17.772 15.537 1.170
12 HD3 PRO -1 HD1 PRO -1 -19.390 14.860 0.905
13 H HIS 0 HN HIS 0 -15.485 15.396 -0.525
14 HA HIS 0 HA HIS 0 -13.642 14.632 -2.645
15 HB2 HIS 0 HB2 HIS 0 -13.206 15.933 0.048
16 HB3 HIS 0 HB1 HIS 0 -11.890 15.480 -1.027
17 HD1 HIS 0 HD1 HIS 0 -11.204 17.191 -2.701
18 HD2 HIS 0 HD2 HIS 0 -14.998 17.917 -1.168
19 HE1 HIS 0 HE1 HIS 0 -11.894 19.423 -3.632
20 HE2 HIS 0 HE2 HIS 0 -14.231 19.798 -2.769
21 H MET 1 HN MET 1 -12.284 12.916 -2.595
22 HA MET 1 HA MET 1 -11.589 10.809 -2.114
23 HB2 MET 1 HB2 MET 1 -11.946 11.780 0.727
24 HB3 MET 1 HB1 MET 1 -11.208 10.243 0.303
25 HG2 MET 1 HG2 MET 1 -10.192 12.945 -0.541
26 HG3 MET 1 HG1 MET 1 -9.567 11.997 0.806
27 HE1 MET 1 HE1 MET 1 -8.390 9.656 0.536
28 HE2 MET 1 HE2 MET 1 -8.043 8.889 -1.013
29 HE3 MET 1 HE3 MET 1 -9.707 9.009 -0.442
30 H VAL 2 HN VAL 2 -13.959 10.652 -3.044
31 HA VAL 2 HA VAL 2 -16.004 9.727 -1.315
32 HB VAL 2 HB VAL 2 -16.354 10.682 -3.614
33 HG11 VAL 2 HG11 VAL 2 -15.507 7.934 -4.513
34 HG12 VAL 2 HG12 VAL 2 -14.646 9.441 -4.815
35 HG13 VAL 2 HG13 VAL 2 -16.233 9.174 -5.535
36 HG21 VAL 2 HG21 VAL 2 -18.165 9.592 -2.435
37 HG22 VAL 2 HG22 VAL 2 -17.638 8.019 -3.034
38 HG23 VAL 2 HG23 VAL 2 -18.257 9.229 -4.159
39 H SER 3 HN SER 3 -13.253 8.227 -2.713
40 HA SER 3 HA SER 3 -14.214 5.525 -2.471
41 HB2 SER 3 HB2 SER 3 -11.364 6.498 -2.797
42 HB3 SER 3 HB1 SER 3 -11.972 4.876 -3.125
43 HG SER 3 HG SER 3 -12.501 7.277 -4.534
44 H SER 4 HN SER 4 -14.901 5.559 -0.260
45 HA SER 4 HA SER 4 -13.223 6.150 1.917
46 HB2 SER 4 HB2 SER 4 -15.545 4.207 1.830
47 HB3 SER 4 HB1 SER 4 -14.875 4.977 3.270
48 HG SER 4 HG SER 4 -15.385 7.010 1.977
49 H ALA 5 HN ALA 5 -13.731 3.230 0.044
50 HA ALA 5 HA ALA 5 -11.554 1.956 1.553
51 HB1 ALA 5 HB1 ALA 5 -13.618 0.629 1.510
52 HB2 ALA 5 HB2 ALA 5 -12.311 -0.176 0.639
53 HB3 ALA 5 HB3 ALA 5 -13.589 0.650 -0.253
54 H VAL 6 HN VAL 6 -9.934 0.916 0.435
55 HA VAL 6 HA VAL 6 -9.456 2.031 -2.235
56 HB VAL 6 HB VAL 6 -8.393 3.311 -0.299
57 HG11 VAL 6 HG11 VAL 6 -6.617 0.881 -0.197
58 HG12 VAL 6 HG12 VAL 6 -7.731 1.414 1.061
59 HG13 VAL 6 HG13 VAL 6 -6.335 2.407 0.642
60 HG21 VAL 6 HG21 VAL 6 -6.288 3.627 -1.492
61 HG22 VAL 6 HG22 VAL 6 -7.683 3.593 -2.571
62 HG23 VAL 6 HG23 VAL 6 -6.628 2.186 -2.448
63 H LYS 7 HN LYS 7 -7.824 0.809 -3.445
64 HA LYS 7 HA LYS 7 -7.774 -2.004 -2.619
65 HB2 LYS 7 HB2 LYS 7 -7.129 -0.815 -5.324
66 HB3 LYS 7 HB1 LYS 7 -7.269 -2.523 -4.934
67 HG2 LYS 7 HG2 LYS 7 -9.518 -0.537 -4.786
68 HG3 LYS 7 HG1 LYS 7 -9.235 -1.672 -6.107
69 HD2 LYS 7 HD2 LYS 7 -9.420 -3.532 -4.473
70 HD3 LYS 7 HD1 LYS 7 -9.848 -2.350 -3.233
71 HE2 LYS 7 HE2 LYS 7 -11.774 -1.658 -4.590
72 HE3 LYS 7 HE1 LYS 7 -11.354 -2.885 -5.784
73 HZ1 LYS 7 HZ1 LYS 7 -12.128 -3.387 -2.963
74 HZ2 LYS 7 HZ2 LYS 7 -11.675 -4.578 -4.075
75 HZ3 LYS 7 HZ3 LYS 7 -13.085 -3.680 -4.327
76 H CYS 8 HN CYS 8 -5.831 -3.216 -2.826
77 HA CYS 8 HA CYS 8 -3.580 -2.019 -1.686
78 HB2 CYS 8 HB2 CYS 8 -4.129 -4.455 -1.674
79 HB3 CYS 8 HB1 CYS 8 -3.665 -4.528 -3.362
80 H GLY 9 HN GLY 9 -2.212 -0.604 -2.565
81 HA2 GLY 9 HA2 GLY 9 -2.174 -0.169 -5.409
82 HA3 GLY 9 HA1 GLY 9 -1.251 0.710 -4.202
83 H ILE 10 HN ILE 10 -0.803 -2.577 -3.781
84 HA ILE 10 HA ILE 10 1.777 -2.389 -5.160
85 HB ILE 10 HB ILE 10 1.038 -4.192 -2.853
86 HG12 ILE 10 HG12 ILE 10 2.384 -1.491 -2.959
87 HG13 ILE 10 HG11 ILE 10 0.970 -1.965 -2.027
88 HG21 ILE 10 HG21 ILE 10 2.848 -5.063 -4.237
89 HG22 ILE 10 HG22 ILE 10 3.455 -4.543 -2.664
90 HG23 ILE 10 HG23 ILE 10 3.711 -3.531 -4.086
91 HD11 ILE 10 HD11 ILE 10 2.308 -3.256 -0.538
92 HD12 ILE 10 HD12 ILE 10 3.040 -1.660 -0.694
93 HD13 ILE 10 HD13 ILE 10 3.727 -3.038 -1.550
94 H CYS 11 HN CYS 11 -1.006 -4.521 -4.609
95 HA CYS 11 HA CYS 11 -0.027 -6.140 -6.864
96 HB2 CYS 11 HB2 CYS 11 -1.051 -8.111 -5.923
97 HB3 CYS 11 HB1 CYS 11 -0.002 -7.374 -4.719
98 H ARG 12 HN ARG 12 -2.486 -4.161 -5.701
99 HA ARG 12 HA ARG 12 -4.499 -3.479 -6.459
100 HB2 ARG 12 HB2 ARG 12 -3.588 -4.709 -9.066
101 HB3 ARG 12 HB1 ARG 12 -4.929 -3.588 -8.878
102 HG2 ARG 12 HG2 ARG 12 -2.008 -3.021 -8.432
103 HG3 ARG 12 HG1 ARG 12 -3.034 -2.401 -9.725
104 HD2 ARG 12 HD2 ARG 12 -3.272 -1.792 -6.780
105 HD3 ARG 12 HD1 ARG 12 -2.705 -0.699 -8.038
106 HE ARG 12 HE ARG 12 -5.221 -1.410 -8.834
107 HH11 ARG 12 HH11 ARG 12 -3.850 0.025 -5.961
108 HH12 ARG 12 HH12 ARG 12 -5.265 0.941 -5.576
109 HH21 ARG 12 HH21 ARG 12 -7.104 -0.208 -8.335
110 HH22 ARG 12 HH22 ARG 12 -7.126 0.806 -6.923
111 H GLY 13 HN GLY 13 -4.197 -6.211 -5.343
112 HA2 GLY 13 HA2 GLY 13 -6.115 -7.814 -6.812
113 HA3 GLY 13 HA1 GLY 13 -5.272 -8.279 -5.342
114 H VAL 14 HN VAL 14 -5.979 -7.102 -3.341
115 HA VAL 14 HA VAL 14 -8.899 -6.758 -3.422
116 HB VAL 14 HB VAL 14 -9.010 -7.601 -1.142
117 HG11 VAL 14 HG11 VAL 14 -8.348 -9.929 -1.538
118 HG12 VAL 14 HG12 VAL 14 -7.424 -9.413 -2.947
119 HG13 VAL 14 HG13 VAL 14 -9.179 -9.230 -2.927
120 HG21 VAL 14 HG21 VAL 14 -6.024 -7.953 -1.360
121 HG22 VAL 14 HG22 VAL 14 -7.030 -8.574 -0.051
122 HG23 VAL 14 HG23 VAL 14 -6.876 -6.834 -0.295
123 H ASP 15 HN ASP 15 -9.340 -5.747 -0.934
124 HA ASP 15 HA ASP 15 -8.777 -3.030 -1.259
125 HB2 ASP 15 HB2 ASP 15 -9.795 -2.722 0.923
126 HB3 ASP 15 HB1 ASP 15 -10.713 -3.912 0.010
127 H GLY 16 HN GLY 16 -7.384 -1.644 -0.270
128 HA2 GLY 16 HA2 GLY 16 -4.998 -2.827 0.940
129 HA3 GLY 16 HA1 GLY 16 -5.165 -1.170 0.369
130 H LYS 17 HN LYS 17 -6.314 -3.401 2.851
131 HA LYS 17 HA LYS 17 -7.471 -1.420 4.502
132 HB2 LYS 17 HB2 LYS 17 -7.227 -3.272 6.278
133 HB3 LYS 17 HB1 LYS 17 -8.279 -3.542 4.895
134 HG2 LYS 17 HG2 LYS 17 -6.732 -4.971 3.862
135 HG3 LYS 17 HG1 LYS 17 -5.432 -4.476 4.945
136 HD2 LYS 17 HD2 LYS 17 -6.279 -6.673 5.552
137 HD3 LYS 17 HD1 LYS 17 -6.611 -5.492 6.820
138 HE2 LYS 17 HE2 LYS 17 -8.527 -6.984 6.387
139 HE3 LYS 17 HE1 LYS 17 -8.898 -5.288 6.093
140 HZ1 LYS 17 HZ1 LYS 17 -8.160 -7.213 3.964
141 HZ2 LYS 17 HZ2 LYS 17 -8.724 -5.628 3.748
142 HZ3 LYS 17 HZ3 LYS 17 -9.750 -6.818 4.372
143 H TYR 18 HN TYR 18 -4.227 -2.682 4.278
144 HA TYR 18 HA TYR 18 -3.435 -1.237 6.690
145 HB2 TYR 18 HB2 TYR 18 -2.192 -3.388 5.027
146 HB3 TYR 18 HB1 TYR 18 -1.153 -2.354 5.993
147 HD1 TYR 18 HD1 TYR 18 -4.280 -4.355 6.397
148 HD2 TYR 18 HD2 TYR 18 -0.600 -3.080 8.093
149 HE1 TYR 18 HE1 TYR 18 -4.695 -5.789 8.348
150 HE2 TYR 18 HE2 TYR 18 -1.002 -4.504 10.054
151 HH TYR 18 HH TYR 18 -2.908 -5.543 11.221
152 H LYS 19 HN LYS 19 -1.737 0.318 6.642
153 HA LYS 19 HA LYS 19 -1.163 1.452 3.995
154 HB2 LYS 19 HB2 LYS 19 -3.109 2.596 5.173
155 HB3 LYS 19 HB1 LYS 19 -1.964 3.118 6.390
156 HG2 LYS 19 HG2 LYS 19 -1.521 3.780 3.513
157 HG3 LYS 19 HG1 LYS 19 -2.654 4.714 4.482
158 HD2 LYS 19 HD2 LYS 19 -0.758 5.009 6.143
159 HD3 LYS 19 HD1 LYS 19 0.298 4.367 4.880
160 HE2 LYS 19 HE2 LYS 19 0.382 6.734 4.726
161 HE3 LYS 19 HE1 LYS 19 -0.575 6.146 3.368
162 HZ1 LYS 19 HZ1 LYS 19 -1.718 7.226 5.885
163 HZ2 LYS 19 HZ2 LYS 19 -2.577 6.770 4.505
164 HZ3 LYS 19 HZ3 LYS 19 -1.544 8.108 4.452
165 H CYS 20 HN CYS 20 0.801 2.580 3.842
166 HA CYS 20 HA CYS 20 2.687 1.979 6.010
167 HB2 CYS 20 HB2 CYS 20 3.258 1.167 3.743
168 HB3 CYS 20 HB1 CYS 20 3.260 2.824 3.162
169 HA PRO 21 HA PRO 21 2.279 6.370 6.964
170 HB2 PRO 21 HB2 PRO 21 3.807 6.259 9.218
171 HB3 PRO 21 HB1 PRO 21 2.106 5.785 9.173
172 HG2 PRO 21 HG2 PRO 21 4.552 4.065 9.053
173 HG3 PRO 21 HG1 PRO 21 3.053 3.816 9.968
174 HD2 PRO 21 HD2 PRO 21 3.548 2.535 7.647
175 HD3 PRO 21 HD1 PRO 21 1.910 3.025 8.120
176 H LYS 22 HN LYS 22 4.950 4.584 5.961
177 HA LYS 22 HA LYS 22 6.866 6.737 6.305
178 HB2 LYS 22 HB2 LYS 22 7.224 4.094 4.890
179 HB3 LYS 22 HB1 LYS 22 8.496 5.211 5.357
180 HG2 LYS 22 HG2 LYS 22 6.705 3.677 7.228
181 HG3 LYS 22 HG1 LYS 22 8.395 3.319 6.872
182 HD2 LYS 22 HD2 LYS 22 7.381 5.856 8.157
183 HD3 LYS 22 HD1 LYS 22 8.108 4.501 9.016
184 HE2 LYS 22 HE2 LYS 22 9.472 6.152 6.890
185 HE3 LYS 22 HE1 LYS 22 9.699 6.339 8.627
186 HZ1 LYS 22 HZ1 LYS 22 10.335 3.887 7.076
187 HZ2 LYS 22 HZ2 LYS 22 10.588 4.110 8.731
188 HZ3 LYS 22 HZ3 LYS 22 11.461 5.027 7.612
189 H CYS 23 HN CYS 23 5.661 4.849 3.500
190 HA CYS 23 HA CYS 23 6.530 7.059 1.794
191 HB2 CYS 23 HB2 CYS 23 6.172 5.491 -0.099
192 HB3 CYS 23 HB1 CYS 23 7.342 4.907 1.073
193 H GLY 24 HN GLY 24 3.670 5.404 2.869
194 HA2 GLY 24 HA2 GLY 24 1.584 6.539 2.954
195 HA3 GLY 24 HA1 GLY 24 2.070 7.477 1.548
196 H VAL 25 HN VAL 25 2.675 4.094 1.564
197 HA VAL 25 HA VAL 25 0.869 3.800 -0.686
198 HB VAL 25 HB VAL 25 3.294 2.927 -0.592
199 HG11 VAL 25 HG11 VAL 25 3.500 0.597 0.224
200 HG12 VAL 25 HG12 VAL 25 1.912 0.756 0.977
201 HG13 VAL 25 HG13 VAL 25 3.250 1.776 1.507
202 HG21 VAL 25 HG21 VAL 25 2.751 1.024 -2.032
203 HG22 VAL 25 HG22 VAL 25 1.778 2.443 -2.419
204 HG23 VAL 25 HG23 VAL 25 1.071 1.112 -1.504
205 H ARG 26 HN ARG 26 -0.551 1.988 -0.847
206 HA ARG 26 HA ARG 26 -1.625 1.077 1.733
207 HB2 ARG 26 HB2 ARG 26 -2.955 1.740 -0.882
208 HB3 ARG 26 HB1 ARG 26 -3.727 0.658 0.266
209 HG2 ARG 26 HG2 ARG 26 -2.814 3.417 1.008
210 HG3 ARG 26 HG1 ARG 26 -4.418 3.080 0.353
211 HD2 ARG 26 HD2 ARG 26 -4.796 1.483 2.197
212 HD3 ARG 26 HD1 ARG 26 -3.224 1.918 2.867
213 HE ARG 26 HE ARG 26 -4.417 4.301 2.727
214 HH11 ARG 26 HH11 ARG 26 -5.609 1.228 3.908
215 HH12 ARG 26 HH12 ARG 26 -6.603 1.943 5.139
216 HH21 ARG 26 HH21 ARG 26 -5.716 5.246 4.361
217 HH22 ARG 26 HH22 ARG 26 -6.675 4.224 5.385
218 H TYR 27 HN TYR 27 -1.546 -1.050 2.110
219 HA TYR 27 HA TYR 27 -1.368 -2.848 -0.203
220 HB2 TYR 27 HB2 TYR 27 -0.061 -4.301 1.688
221 HB3 TYR 27 HB1 TYR 27 0.726 -3.350 0.444
222 HD1 TYR 27 HD1 TYR 27 -0.803 -2.706 3.778
223 HD2 TYR 27 HD2 TYR 27 2.516 -2.122 1.199
224 HE1 TYR 27 HE1 TYR 27 0.319 -1.358 5.515
225 HE2 TYR 27 HE2 TYR 27 3.650 -0.808 2.935
226 HH TYR 27 HH TYR 27 2.516 -0.702 6.165
227 H CYS 28 HN CYS 28 -2.167 -4.898 0.084
228 HA CYS 28 HA CYS 28 -4.610 -4.964 1.490
229 HB2 CYS 28 HB2 CYS 28 -4.792 -7.249 0.559
230 HB3 CYS 28 HB1 CYS 28 -4.366 -6.060 -0.660
231 H SER 29 HN SER 29 -1.401 -6.213 2.135
232 HA SER 29 HA SER 29 -1.997 -6.903 4.810
233 HB2 SER 29 HB2 SER 29 -1.660 -9.223 2.881
234 HB3 SER 29 HB1 SER 29 -1.648 -9.368 4.633
235 HG SER 29 HG SER 29 -3.857 -8.052 3.860
236 H LEU 30 HN LEU 30 -0.085 -8.665 5.481
237 HA LEU 30 HA LEU 30 2.291 -7.197 5.344
238 HB2 LEU 30 HB2 LEU 30 1.616 -9.956 6.246
239 HB3 LEU 30 HB1 LEU 30 3.295 -9.459 6.157
240 HG LEU 30 HG LEU 30 1.155 -8.111 7.812
241 HD11 LEU 30 HD11 LEU 30 3.449 -9.896 8.598
242 HD12 LEU 30 HD12 LEU 30 1.733 -10.292 8.694
243 HD13 LEU 30 HD13 LEU 30 2.405 -9.022 9.717
244 HD21 LEU 30 HD21 LEU 30 2.845 -6.527 7.078
245 HD22 LEU 30 HD22 LEU 30 4.124 -7.613 7.617
246 HD23 LEU 30 HD23 LEU 30 3.042 -6.873 8.795
247 H LYS 31 HN LYS 31 1.041 -9.577 3.199
248 HA LYS 31 HA LYS 31 3.340 -10.631 2.056
249 HB2 LYS 31 HB2 LYS 31 0.705 -9.963 0.727
250 HB3 LYS 31 HB1 LYS 31 1.956 -10.971 0.013
251 HG2 LYS 31 HG2 LYS 31 0.605 -12.578 0.890
252 HG3 LYS 31 HG1 LYS 31 1.702 -12.289 2.239
253 HD2 LYS 31 HD2 LYS 31 0.090 -10.861 3.317
254 HD3 LYS 31 HD1 LYS 31 -1.002 -11.007 1.938
255 HE2 LYS 31 HE2 LYS 31 -0.074 -13.346 3.585
256 HE3 LYS 31 HE1 LYS 31 -1.550 -12.447 3.929
257 HZ1 LYS 31 HZ1 LYS 31 -2.371 -13.026 1.733
258 HZ2 LYS 31 HZ2 LYS 31 -1.998 -14.423 2.611
259 HZ3 LYS 31 HZ3 LYS 31 -0.951 -13.883 1.398
260 H CYS 32 HN CYS 32 1.450 -7.858 1.070
261 HA CYS 32 HA CYS 32 3.491 -6.943 -0.762
262 HB2 CYS 32 HB2 CYS 32 0.839 -5.739 0.045
263 HB3 CYS 32 HB1 CYS 32 1.898 -5.081 -1.198
264 H TYR 33 HN TYR 33 2.503 -6.314 2.494
265 HA TYR 33 HA TYR 33 3.590 -3.764 2.888
266 HB2 TYR 33 HB2 TYR 33 2.145 -5.127 4.499
267 HB3 TYR 33 HB1 TYR 33 3.614 -5.986 4.943
268 HD1 TYR 33 HD1 TYR 33 5.084 -3.061 4.481
269 HD2 TYR 33 HD2 TYR 33 2.035 -4.652 6.982
270 HE1 TYR 33 HE1 TYR 33 5.566 -1.331 6.165
271 HE2 TYR 33 HE2 TYR 33 2.516 -2.937 8.675
272 HH TYR 33 HH TYR 33 4.381 -1.491 9.348
273 H LYS 34 HN LYS 34 5.041 -6.930 3.653
274 HA LYS 34 HA LYS 34 7.637 -5.681 4.005
275 HB2 LYS 34 HB2 LYS 34 6.788 -8.566 4.298
276 HB3 LYS 34 HB1 LYS 34 8.347 -7.902 4.767
277 HG2 LYS 34 HG2 LYS 34 7.276 -6.503 6.432
278 HG3 LYS 34 HG1 LYS 34 5.692 -7.096 5.936
279 HD2 LYS 34 HD2 LYS 34 6.472 -8.226 7.961
280 HD3 LYS 34 HD1 LYS 34 6.312 -9.356 6.616
281 HE2 LYS 34 HE2 LYS 34 8.736 -9.182 6.218
282 HE3 LYS 34 HE1 LYS 34 8.871 -8.107 7.604
283 HZ1 LYS 34 HZ1 LYS 34 8.094 -9.882 9.028
284 HZ2 LYS 34 HZ2 LYS 34 9.455 -10.387 8.162
285 HZ3 LYS 34 HZ3 LYS 34 7.918 -10.913 7.701
286 H ASP 35 HN ASP 35 6.813 -5.439 1.415
287 HA ASP 35 HA ASP 35 8.399 -7.429 -0.050
288 HB2 ASP 35 HB2 ASP 35 6.061 -7.356 -0.754
289 HB3 ASP 35 HB1 ASP 35 6.162 -5.617 -0.991
290 H ALA 36 HN ALA 36 10.082 -6.729 -1.302
291 HA ALA 36 HA ALA 36 10.564 -3.823 -1.376
292 HB1 ALA 36 HB1 ALA 36 12.953 -4.245 -1.194
293 HB2 ALA 36 HB2 ALA 36 12.656 -5.981 -1.114
294 HB3 ALA 36 HB3 ALA 36 12.096 -4.930 0.188
295 H ALA 37 HN ALA 37 9.303 -5.727 -3.297
296 HA ALA 37 HA ALA 37 11.157 -5.378 -5.565
297 HB1 ALA 37 HB1 ALA 37 8.805 -7.253 -5.291
298 HB2 ALA 37 HB2 ALA 37 10.505 -7.702 -5.160
299 HB3 ALA 37 HB3 ALA 37 9.863 -7.124 -6.697
300 H LYS 38 HN LYS 38 7.795 -5.144 -4.548
301 HA LYS 38 HA LYS 38 7.221 -3.270 -6.739
302 HB2 LYS 38 HB2 LYS 38 5.320 -4.588 -4.799
303 HB3 LYS 38 HB1 LYS 38 4.880 -3.646 -6.216
304 HG2 LYS 38 HG2 LYS 38 5.713 -5.326 -7.682
305 HG3 LYS 38 HG1 LYS 38 6.432 -6.218 -6.339
306 HD2 LYS 38 HD2 LYS 38 4.165 -6.528 -5.401
307 HD3 LYS 38 HD1 LYS 38 3.495 -5.762 -6.840
308 HE2 LYS 38 HE2 LYS 38 4.399 -7.509 -8.238
309 HE3 LYS 38 HE1 LYS 38 5.208 -8.240 -6.856
310 HZ1 LYS 38 HZ1 LYS 38 2.271 -8.008 -7.233
311 HZ2 LYS 38 HZ2 LYS 38 3.029 -8.670 -5.875
312 HZ3 LYS 38 HZ3 LYS 38 3.188 -9.422 -7.380
313 H HIS 39 HN HIS 39 6.990 -3.716 -3.238
314 HA HIS 39 HA HIS 39 6.299 -0.958 -2.738
315 HB2 HIS 39 HB2 HIS 39 5.507 -2.772 -1.260
316 HB3 HIS 39 HB1 HIS 39 7.165 -3.169 -0.851
317 HD1 HIS 39 HD1 HIS 39 6.631 -2.716 1.676
318 HD2 HIS 39 HD2 HIS 39 6.180 0.583 -0.821
319 HE1 HIS 39 HE1 HIS 39 6.462 -0.703 3.179
320 H VAL 40 HN VAL 40 7.788 0.577 -2.988
321 HA VAL 40 HA VAL 40 10.587 -0.109 -2.419
322 HB VAL 40 HB VAL 40 9.639 1.974 -4.382
323 HG11 VAL 40 HG11 VAL 40 11.943 1.962 -5.168
324 HG12 VAL 40 HG12 VAL 40 12.362 0.748 -3.959
325 HG13 VAL 40 HG13 VAL 40 11.871 2.364 -3.452
326 HG21 VAL 40 HG21 VAL 40 10.245 0.409 -6.151
327 HG22 VAL 40 HG22 VAL 40 8.976 -0.264 -5.128
328 HG23 VAL 40 HG23 VAL 40 10.641 -0.816 -4.946
329 H HIS 41 HN HIS 41 11.776 1.139 -1.162
330 HA HIS 41 HA HIS 41 10.503 3.541 -0.088
331 HB2 HIS 41 HB2 HIS 41 11.752 1.273 1.290
332 HB3 HIS 41 HB1 HIS 41 12.230 2.860 1.893
333 HD1 HIS 41 HD1 HIS 41 10.610 1.293 3.848
334 HD2 HIS 41 HD2 HIS 41 8.890 3.621 0.885
335 HE1 HIS 41 HE1 HIS 41 8.377 2.066 4.758
336 H LYS 42 HN LYS 42 12.586 4.499 1.413
337 HA LYS 42 HA LYS 42 13.770 6.115 -0.564
338 HB2 LYS 42 HB2 LYS 42 14.473 5.878 2.363
339 HB3 LYS 42 HB1 LYS 42 14.869 7.227 1.307
340 HG2 LYS 42 HG2 LYS 42 12.523 7.760 1.052
341 HG3 LYS 42 HG1 LYS 42 12.074 6.353 2.015
342 HD2 LYS 42 HD2 LYS 42 11.937 8.271 3.428
343 HD3 LYS 42 HD1 LYS 42 13.359 7.350 3.917
344 HE2 LYS 42 HE2 LYS 42 13.904 9.693 3.875
345 HE3 LYS 42 HE1 LYS 42 14.762 8.873 2.573
346 HZ1 LYS 42 HZ1 LYS 42 13.155 9.691 1.005
347 HZ2 LYS 42 HZ2 LYS 42 13.773 10.995 1.887
348 HZ3 LYS 42 HZ3 LYS 42 12.233 10.393 2.236
349 H GLU 43 HN GLU 43 15.752 6.162 -1.437
350 HA GLU 43 HA GLU 43 17.909 4.540 -0.402
351 HB2 GLU 43 HB2 GLU 43 16.648 2.959 -1.828
352 HB3 GLU 43 HB1 GLU 43 16.822 4.062 -3.185
353 HG2 GLU 43 HG2 GLU 43 19.267 3.809 -3.034
354 HG3 GLU 43 HG1 GLU 43 19.040 2.633 -1.741
355 H SER 44 HN SER 44 16.680 6.677 -2.931
356 HA SER 44 HA SER 44 19.342 7.900 -3.106
357 HB2 SER 44 HB2 SER 44 17.513 7.331 -5.446
358 HB3 SER 44 HB1 SER 44 19.095 8.105 -5.522
359 HG SER 44 HG SER 44 19.696 5.983 -4.334
360 H GLU 45 HN GLU 45 18.171 9.318 -1.508
361 HA GLU 45 HA GLU 45 16.504 11.317 -2.860
362 HB2 GLU 45 HB2 GLU 45 16.156 12.272 -0.601
363 HB3 GLU 45 HB1 GLU 45 15.640 10.599 -0.714
364 HG2 GLU 45 HG2 GLU 45 18.333 11.357 0.367
365 HG3 GLU 45 HG1 GLU 45 16.892 11.316 1.380
366 H GLN 46 HN GLN 46 19.493 10.808 -3.081
367 HA GLN 46 HA GLN 46 20.649 13.248 -2.064
368 HB2 GLN 46 HB2 GLN 46 21.965 11.163 -2.151
369 HB3 GLN 46 HB1 GLN 46 21.817 11.147 -3.900
370 HG2 GLN 46 HG2 GLN 46 23.983 11.976 -3.271
371 HG3 GLN 46 HG1 GLN 46 23.042 13.270 -4.008
372 HE21 GLN 46 HE21 GLN 46 24.429 12.051 -1.072
373 HE22 GLN 46 HE22 GLN 46 24.260 13.506 -0.153
Start of MODEL 13
1 H1 GLY -2 HT1 GLY -2 -12.287 17.876 -3.029
2 H2 GLY -2 HT2 GLY -2 -11.851 17.917 -1.396
3 H3 GLY -2 HT3 GLY -2 -12.915 19.074 -2.015
4 HA2 GLY -2 HA1 GLY -2 -14.105 17.420 -0.736
5 HA3 GLY -2 HA2 GLY -2 -14.581 17.401 -2.427
6 HA PRO -1 HA PRO -1 -13.757 13.033 -1.481
7 HB2 PRO -1 HB2 PRO -1 -15.301 12.032 -3.479
8 HB3 PRO -1 HB1 PRO -1 -15.960 12.562 -1.927
9 HG2 PRO -1 HG2 PRO -1 -15.899 13.995 -4.549
10 HG3 PRO -1 HG1 PRO -1 -17.204 13.904 -3.352
11 HD2 PRO -1 HD2 PRO -1 -15.548 16.048 -3.588
12 HD3 PRO -1 HD1 PRO -1 -16.290 15.564 -2.052
13 H HIS 0 HN HIS 0 -11.690 12.633 -2.073
14 HA HIS 0 HA HIS 0 -10.725 12.959 -4.747
15 HB2 HIS 0 HB2 HIS 0 -9.236 13.073 -2.768
16 HB3 HIS 0 HB1 HIS 0 -9.539 11.369 -2.455
17 HD1 HIS 0 HD1 HIS 0 -7.740 9.903 -3.282
18 HD2 HIS 0 HD2 HIS 0 -8.062 13.370 -5.552
19 HE1 HIS 0 HE1 HIS 0 -5.913 9.756 -5.003
20 HE2 HIS 0 HE2 HIS 0 -6.011 11.950 -6.236
21 H MET 1 HN MET 1 -12.047 10.357 -2.844
22 HA MET 1 HA MET 1 -12.250 8.724 -5.288
23 HB2 MET 1 HB2 MET 1 -12.006 7.765 -2.428
24 HB3 MET 1 HB1 MET 1 -12.277 6.731 -3.821
25 HG2 MET 1 HG2 MET 1 -10.104 7.445 -4.735
26 HG3 MET 1 HG1 MET 1 -9.834 8.396 -3.277
27 HE1 MET 1 HE1 MET 1 -9.919 7.236 -0.808
28 HE2 MET 1 HE2 MET 1 -9.887 5.491 -0.559
29 HE3 MET 1 HE3 MET 1 -11.335 6.262 -1.207
30 H VAL 2 HN VAL 2 -14.254 7.800 -5.683
31 HA VAL 2 HA VAL 2 -16.485 9.031 -4.306
32 HB VAL 2 HB VAL 2 -16.417 8.715 -6.803
33 HG11 VAL 2 HG11 VAL 2 -15.477 6.507 -6.949
34 HG12 VAL 2 HG12 VAL 2 -17.074 6.505 -7.694
35 HG13 VAL 2 HG13 VAL 2 -16.852 5.822 -6.083
36 HG21 VAL 2 HG21 VAL 2 -18.755 7.482 -5.357
37 HG22 VAL 2 HG22 VAL 2 -18.777 8.094 -7.011
38 HG23 VAL 2 HG23 VAL 2 -18.503 9.200 -5.665
39 H SER 3 HN SER 3 -14.608 6.300 -3.951
40 HA SER 3 HA SER 3 -16.738 4.736 -2.680
41 HB2 SER 3 HB2 SER 3 -13.912 3.874 -3.340
42 HB3 SER 3 HB1 SER 3 -15.265 2.839 -2.885
43 HG SER 3 HG SER 3 -16.196 3.164 -4.830
44 H SER 4 HN SER 4 -16.365 3.816 -0.590
45 HA SER 4 HA SER 4 -14.664 5.486 1.110
46 HB2 SER 4 HB2 SER 4 -16.844 3.516 1.852
47 HB3 SER 4 HB1 SER 4 -15.989 4.574 2.972
48 HG SER 4 HG SER 4 -17.361 5.626 0.736
49 H ALA 5 HN ALA 5 -13.372 3.623 -0.531
50 HA ALA 5 HA ALA 5 -11.872 2.133 1.386
51 HB1 ALA 5 HB1 ALA 5 -12.273 -0.092 0.475
52 HB2 ALA 5 HB2 ALA 5 -13.465 0.567 -0.645
53 HB3 ALA 5 HB3 ALA 5 -13.775 0.598 1.091
54 H VAL 6 HN VAL 6 -10.113 0.943 0.381
55 HA VAL 6 HA VAL 6 -9.291 2.203 -2.138
56 HB VAL 6 HB VAL 6 -8.485 3.421 -0.056
57 HG11 VAL 6 HG11 VAL 6 -6.599 2.495 1.155
58 HG12 VAL 6 HG12 VAL 6 -6.706 1.005 0.218
59 HG13 VAL 6 HG13 VAL 6 -8.012 1.453 1.314
60 HG21 VAL 6 HG21 VAL 6 -6.443 2.343 -1.975
61 HG22 VAL 6 HG22 VAL 6 -6.240 3.762 -0.949
62 HG23 VAL 6 HG23 VAL 6 -7.475 3.754 -2.206
63 H LYS 7 HN LYS 7 -7.585 1.021 -3.246
64 HA LYS 7 HA LYS 7 -7.657 -1.829 -2.535
65 HB2 LYS 7 HB2 LYS 7 -6.951 -0.583 -5.195
66 HB3 LYS 7 HB1 LYS 7 -7.185 -2.292 -4.868
67 HG2 LYS 7 HG2 LYS 7 -9.303 -0.156 -4.714
68 HG3 LYS 7 HG1 LYS 7 -9.106 -1.337 -6.007
69 HD2 LYS 7 HD2 LYS 7 -9.554 -2.108 -3.138
70 HD3 LYS 7 HD1 LYS 7 -10.873 -1.861 -4.278
71 HE2 LYS 7 HE2 LYS 7 -8.612 -3.805 -4.707
72 HE3 LYS 7 HE1 LYS 7 -10.162 -4.242 -3.995
73 HZ1 LYS 7 HZ1 LYS 7 -9.754 -3.136 -6.721
74 HZ2 LYS 7 HZ2 LYS 7 -11.251 -3.533 -6.036
75 HZ3 LYS 7 HZ3 LYS 7 -10.116 -4.745 -6.342
76 H CYS 8 HN CYS 8 -5.735 -3.108 -2.866
77 HA CYS 8 HA CYS 8 -3.425 -1.986 -1.705
78 HB2 CYS 8 HB2 CYS 8 -4.068 -4.411 -1.690
79 HB3 CYS 8 HB1 CYS 8 -3.598 -4.500 -3.375
80 H GLY 9 HN GLY 9 -2.021 -0.635 -2.618
81 HA2 GLY 9 HA2 GLY 9 -1.991 -0.263 -5.478
82 HA3 GLY 9 HA1 GLY 9 -1.059 0.642 -4.296
83 H ILE 10 HN ILE 10 -0.644 -2.632 -3.757
84 HA ILE 10 HA ILE 10 1.941 -2.506 -5.132
85 HB ILE 10 HB ILE 10 1.151 -4.304 -2.839
86 HG12 ILE 10 HG12 ILE 10 2.556 -1.634 -2.922
87 HG13 ILE 10 HG11 ILE 10 1.108 -2.066 -2.026
88 HG21 ILE 10 HG21 ILE 10 3.841 -3.692 -4.063
89 HG22 ILE 10 HG22 ILE 10 2.955 -5.210 -4.203
90 HG23 ILE 10 HG23 ILE 10 3.569 -4.687 -2.634
91 HD11 ILE 10 HD11 ILE 10 3.092 -1.814 -0.610
92 HD12 ILE 10 HD12 ILE 10 3.847 -3.154 -1.472
93 HD13 ILE 10 HD13 ILE 10 2.387 -3.427 -0.527
94 H CYS 11 HN CYS 11 -0.856 -4.621 -4.576
95 HA CYS 11 HA CYS 11 0.111 -6.252 -6.829
96 HB2 CYS 11 HB2 CYS 11 -0.958 -8.194 -5.883
97 HB3 CYS 11 HB1 CYS 11 0.072 -7.459 -4.659
98 H ARG 12 HN ARG 12 -2.292 -4.197 -5.703
99 HA ARG 12 HA ARG 12 -4.270 -3.459 -6.482
100 HB2 ARG 12 HB2 ARG 12 -3.154 -4.594 -9.045
101 HB3 ARG 12 HB1 ARG 12 -4.640 -3.657 -8.971
102 HG2 ARG 12 HG2 ARG 12 -1.912 -2.685 -8.137
103 HG3 ARG 12 HG1 ARG 12 -2.735 -2.290 -9.647
104 HD2 ARG 12 HD2 ARG 12 -4.538 -1.222 -8.392
105 HD3 ARG 12 HD1 ARG 12 -3.736 -1.634 -6.879
106 HE ARG 12 HE ARG 12 -2.029 -0.123 -8.582
107 HH11 ARG 12 HH11 ARG 12 -4.723 0.164 -6.368
108 HH12 ARG 12 HH12 ARG 12 -4.379 1.812 -5.956
109 HH21 ARG 12 HH21 ARG 12 -1.570 2.048 -8.042
110 HH22 ARG 12 HH22 ARG 12 -2.588 2.881 -6.908
111 H GLY 13 HN GLY 13 -4.143 -6.143 -5.345
112 HA2 GLY 13 HA2 GLY 13 -6.114 -7.659 -6.843
113 HA3 GLY 13 HA1 GLY 13 -5.332 -8.150 -5.349
114 H VAL 14 HN VAL 14 -6.028 -7.004 -3.366
115 HA VAL 14 HA VAL 14 -8.922 -6.505 -3.513
116 HB VAL 14 HB VAL 14 -9.147 -7.423 -1.279
117 HG11 VAL 14 HG11 VAL 14 -7.549 -9.238 -3.076
118 HG12 VAL 14 HG12 VAL 14 -9.296 -8.989 -3.124
119 HG13 VAL 14 HG13 VAL 14 -8.551 -9.762 -1.724
120 HG21 VAL 14 HG21 VAL 14 -6.172 -7.909 -1.382
121 HG22 VAL 14 HG22 VAL 14 -7.263 -8.460 -0.111
122 HG23 VAL 14 HG23 VAL 14 -6.997 -6.735 -0.358
123 H ASP 15 HN ASP 15 -9.378 -5.558 -0.991
124 HA ASP 15 HA ASP 15 -8.645 -2.853 -1.244
125 HB2 ASP 15 HB2 ASP 15 -9.746 -2.526 0.919
126 HB3 ASP 15 HB1 ASP 15 -10.722 -3.531 -0.144
127 H GLY 16 HN GLY 16 -7.217 -1.590 -0.185
128 HA2 GLY 16 HA2 GLY 16 -4.976 -2.927 1.110
129 HA3 GLY 16 HA1 GLY 16 -5.055 -1.234 0.638
130 H LYS 17 HN LYS 17 -6.294 -3.583 2.958
131 HA LYS 17 HA LYS 17 -7.533 -1.720 4.658
132 HB2 LYS 17 HB2 LYS 17 -7.300 -3.588 6.389
133 HB3 LYS 17 HB1 LYS 17 -8.252 -3.904 4.947
134 HG2 LYS 17 HG2 LYS 17 -6.647 -5.304 4.037
135 HG3 LYS 17 HG1 LYS 17 -5.365 -4.665 5.066
136 HD2 LYS 17 HD2 LYS 17 -6.032 -6.883 5.812
137 HD3 LYS 17 HD1 LYS 17 -6.451 -5.669 7.019
138 HE2 LYS 17 HE2 LYS 17 -8.755 -5.669 6.243
139 HE3 LYS 17 HE1 LYS 17 -8.350 -6.858 5.005
140 HZ1 LYS 17 HZ1 LYS 17 -7.800 -8.433 6.735
141 HZ2 LYS 17 HZ2 LYS 17 -9.378 -7.873 6.949
142 HZ3 LYS 17 HZ3 LYS 17 -8.135 -7.290 7.934
143 H TYR 18 HN TYR 18 -4.202 -2.705 4.408
144 HA TYR 18 HA TYR 18 -3.603 -1.208 6.865
145 HB2 TYR 18 HB2 TYR 18 -2.166 -3.399 5.415
146 HB3 TYR 18 HB1 TYR 18 -1.260 -2.295 6.447
147 HD1 TYR 18 HD1 TYR 18 -4.274 -4.469 6.518
148 HD2 TYR 18 HD2 TYR 18 -1.042 -2.799 8.697
149 HE1 TYR 18 HE1 TYR 18 -4.925 -5.796 8.469
150 HE2 TYR 18 HE2 TYR 18 -1.676 -4.129 10.669
151 HH TYR 18 HH TYR 18 -3.856 -6.704 10.516
152 H LYS 19 HN LYS 19 -1.627 0.169 6.804
153 HA LYS 19 HA LYS 19 -1.232 1.388 4.159
154 HB2 LYS 19 HB2 LYS 19 -3.055 2.524 5.556
155 HB3 LYS 19 HB1 LYS 19 -1.769 3.039 6.629
156 HG2 LYS 19 HG2 LYS 19 -1.637 3.660 3.714
157 HG3 LYS 19 HG1 LYS 19 -2.650 4.616 4.784
158 HD2 LYS 19 HD2 LYS 19 -0.582 4.918 6.226
159 HD3 LYS 19 HD1 LYS 19 0.326 4.258 4.860
160 HE2 LYS 19 HE2 LYS 19 0.387 6.624 4.665
161 HE3 LYS 19 HE1 LYS 19 -0.716 6.016 3.432
162 HZ1 LYS 19 HZ1 LYS 19 -1.626 7.954 4.526
163 HZ2 LYS 19 HZ2 LYS 19 -1.506 7.206 6.035
164 HZ3 LYS 19 HZ3 LYS 19 -2.577 6.598 4.873
165 H CYS 20 HN CYS 20 0.729 2.421 3.862
166 HA CYS 20 HA CYS 20 2.787 1.793 5.865
167 HB2 CYS 20 HB2 CYS 20 3.036 0.974 3.497
168 HB3 CYS 20 HB1 CYS 20 3.147 2.645 2.986
169 HA PRO 21 HA PRO 21 2.286 6.214 6.720
170 HB2 PRO 21 HB2 PRO 21 3.840 6.223 8.959
171 HB3 PRO 21 HB1 PRO 21 2.149 5.711 8.946
172 HG2 PRO 21 HG2 PRO 21 4.634 4.042 8.854
173 HG3 PRO 21 HG1 PRO 21 3.154 3.791 9.797
174 HD2 PRO 21 HD2 PRO 21 3.640 2.436 7.522
175 HD3 PRO 21 HD1 PRO 21 2.000 2.927 7.989
176 H LYS 22 HN LYS 22 5.052 4.475 5.843
177 HA LYS 22 HA LYS 22 6.933 6.641 6.052
178 HB2 LYS 22 HB2 LYS 22 7.093 4.045 4.516
179 HB3 LYS 22 HB1 LYS 22 8.421 5.169 4.753
180 HG2 LYS 22 HG2 LYS 22 6.977 3.734 6.954
181 HG3 LYS 22 HG1 LYS 22 8.511 3.221 6.248
182 HD2 LYS 22 HD2 LYS 22 9.444 5.460 6.891
183 HD3 LYS 22 HD1 LYS 22 7.950 5.755 7.781
184 HE2 LYS 22 HE2 LYS 22 9.628 4.947 9.303
185 HE3 LYS 22 HE1 LYS 22 8.386 3.714 9.105
186 HZ1 LYS 22 HZ1 LYS 22 10.658 2.817 9.058
187 HZ2 LYS 22 HZ2 LYS 22 10.990 3.726 7.667
188 HZ3 LYS 22 HZ3 LYS 22 9.815 2.506 7.627
189 H CYS 23 HN CYS 23 5.555 4.891 3.279
190 HA CYS 23 HA CYS 23 6.307 7.131 1.551
191 HB2 CYS 23 HB2 CYS 23 5.963 5.543 -0.292
192 HB3 CYS 23 HB1 CYS 23 7.040 4.871 0.921
193 H GLY 24 HN GLY 24 3.537 5.328 2.713
194 HA2 GLY 24 HA2 GLY 24 1.453 6.500 2.987
195 HA3 GLY 24 HA1 GLY 24 1.803 7.381 1.509
196 H VAL 25 HN VAL 25 2.570 4.058 1.429
197 HA VAL 25 HA VAL 25 0.611 3.718 -0.658
198 HB VAL 25 HB VAL 25 3.020 2.854 -0.715
199 HG11 VAL 25 HG11 VAL 25 3.160 0.440 0.104
200 HG12 VAL 25 HG12 VAL 25 1.795 0.848 1.148
201 HG13 VAL 25 HG13 VAL 25 3.321 1.728 1.292
202 HG21 VAL 25 HG21 VAL 25 1.379 2.301 -2.413
203 HG22 VAL 25 HG22 VAL 25 0.768 0.979 -1.417
204 HG23 VAL 25 HG23 VAL 25 2.406 0.909 -2.069
205 H ARG 26 HN ARG 26 -0.852 1.964 -0.759
206 HA ARG 26 HA ARG 26 -1.791 1.025 1.865
207 HB2 ARG 26 HB2 ARG 26 -3.231 1.822 -0.645
208 HB3 ARG 26 HB1 ARG 26 -3.970 0.654 0.442
209 HG2 ARG 26 HG2 ARG 26 -3.037 3.374 1.322
210 HG3 ARG 26 HG1 ARG 26 -4.682 3.026 0.780
211 HD2 ARG 26 HD2 ARG 26 -4.828 1.277 2.535
212 HD3 ARG 26 HD1 ARG 26 -3.242 1.779 3.115
213 HE ARG 26 HE ARG 26 -4.719 4.070 3.145
214 HH11 ARG 26 HH11 ARG 26 -5.084 0.876 4.513
215 HH12 ARG 26 HH12 ARG 26 -5.965 1.426 5.905
216 HH21 ARG 26 HH21 ARG 26 -5.891 4.809 4.981
217 HH22 ARG 26 HH22 ARG 26 -6.426 3.660 6.167
218 H TYR 27 HN TYR 27 -1.517 -1.090 2.214
219 HA TYR 27 HA TYR 27 -1.423 -2.851 -0.136
220 HB2 TYR 27 HB2 TYR 27 -0.082 -4.330 1.688
221 HB3 TYR 27 HB1 TYR 27 0.685 -3.304 0.492
222 HD1 TYR 27 HD1 TYR 27 -0.925 -2.656 3.806
223 HD2 TYR 27 HD2 TYR 27 2.530 -2.277 1.361
224 HE1 TYR 27 HE1 TYR 27 0.216 -1.419 5.595
225 HE2 TYR 27 HE2 TYR 27 3.675 -1.058 3.156
226 HH TYR 27 HH TYR 27 2.397 -0.885 6.345
227 H CYS 28 HN CYS 28 -2.280 -4.848 0.018
228 HA CYS 28 HA CYS 28 -4.722 -5.007 1.390
229 HB2 CYS 28 HB2 CYS 28 -4.873 -7.253 0.399
230 HB3 CYS 28 HB1 CYS 28 -4.365 -6.054 -0.783
231 H SER 29 HN SER 29 -1.523 -6.081 2.204
232 HA SER 29 HA SER 29 -2.195 -6.779 4.831
233 HB2 SER 29 HB2 SER 29 -1.777 -9.259 4.664
234 HB3 SER 29 HB1 SER 29 -3.283 -8.730 3.922
235 HG SER 29 HG SER 29 -2.382 -8.946 1.917
236 H LEU 30 HN LEU 30 -0.322 -8.516 5.591
237 HA LEU 30 HA LEU 30 2.106 -7.106 5.442
238 HB2 LEU 30 HB2 LEU 30 1.362 -8.623 7.289
239 HB3 LEU 30 HB1 LEU 30 1.683 -9.985 6.238
240 HG LEU 30 HG LEU 30 4.077 -9.258 6.137
241 HD11 LEU 30 HD11 LEU 30 3.809 -6.923 6.722
242 HD12 LEU 30 HD12 LEU 30 4.870 -7.721 7.882
243 HD13 LEU 30 HD13 LEU 30 3.196 -7.369 8.314
244 HD21 LEU 30 HD21 LEU 30 3.328 -11.054 7.609
245 HD22 LEU 30 HD22 LEU 30 2.969 -9.875 8.872
246 HD23 LEU 30 HD23 LEU 30 4.633 -10.126 8.347
247 H LYS 31 HN LYS 31 0.678 -9.456 3.397
248 HA LYS 31 HA LYS 31 2.909 -10.732 2.294
249 HB2 LYS 31 HB2 LYS 31 0.312 -10.007 0.925
250 HB3 LYS 31 HB1 LYS 31 1.470 -11.199 0.355
251 HG2 LYS 31 HG2 LYS 31 -0.082 -11.348 2.930
252 HG3 LYS 31 HG1 LYS 31 -0.433 -12.247 1.452
253 HD2 LYS 31 HD2 LYS 31 1.746 -13.354 1.615
254 HD3 LYS 31 HD1 LYS 31 2.091 -12.454 3.094
255 HE2 LYS 31 HE2 LYS 31 1.340 -14.674 3.660
256 HE3 LYS 31 HE1 LYS 31 0.122 -13.498 4.151
257 HZ1 LYS 31 HZ1 LYS 31 -1.127 -14.029 2.139
258 HZ2 LYS 31 HZ2 LYS 31 -0.899 -15.400 3.101
259 HZ3 LYS 31 HZ3 LYS 31 0.032 -15.182 1.709
260 H CYS 32 HN CYS 32 1.380 -7.672 1.448
261 HA CYS 32 HA CYS 32 3.433 -7.210 -0.581
262 HB2 CYS 32 HB2 CYS 32 0.869 -5.738 0.048
263 HB3 CYS 32 HB1 CYS 32 2.023 -5.225 -1.179
264 H TYR 33 HN TYR 33 2.628 -6.396 2.613
265 HA TYR 33 HA TYR 33 3.726 -3.855 2.902
266 HB2 TYR 33 HB2 TYR 33 2.389 -5.142 4.619
267 HB3 TYR 33 HB1 TYR 33 3.844 -6.063 4.967
268 HD1 TYR 33 HD1 TYR 33 5.177 -3.025 4.295
269 HD2 TYR 33 HD2 TYR 33 2.699 -4.854 7.214
270 HE1 TYR 33 HE1 TYR 33 5.818 -1.284 5.907
271 HE2 TYR 33 HE2 TYR 33 3.352 -3.142 8.850
272 HH TYR 33 HH TYR 33 5.000 -0.281 7.967
273 H LYS 34 HN LYS 34 5.330 -6.949 3.762
274 HA LYS 34 HA LYS 34 7.859 -5.545 3.894
275 HB2 LYS 34 HB2 LYS 34 7.154 -8.423 4.444
276 HB3 LYS 34 HB1 LYS 34 8.761 -7.740 4.651
277 HG2 LYS 34 HG2 LYS 34 7.764 -6.108 6.261
278 HG3 LYS 34 HG1 LYS 34 6.260 -7.025 6.161
279 HD2 LYS 34 HD2 LYS 34 8.944 -8.081 7.058
280 HD3 LYS 34 HD1 LYS 34 7.575 -7.705 8.103
281 HE2 LYS 34 HE2 LYS 34 6.265 -9.460 7.093
282 HE3 LYS 34 HE1 LYS 34 7.532 -9.774 5.909
283 HZ1 LYS 34 HZ1 LYS 34 7.850 -10.111 8.840
284 HZ2 LYS 34 HZ2 LYS 34 8.981 -10.520 7.651
285 HZ3 LYS 34 HZ3 LYS 34 7.522 -11.368 7.760
286 H ASP 35 HN ASP 35 6.986 -5.435 1.349
287 HA ASP 35 HA ASP 35 8.654 -7.363 -0.098
288 HB2 ASP 35 HB2 ASP 35 6.371 -7.295 -0.902
289 HB3 ASP 35 HB1 ASP 35 6.429 -5.540 -1.036
290 H ALA 36 HN ALA 36 10.182 -6.592 -1.576
291 HA ALA 36 HA ALA 36 10.783 -3.720 -1.448
292 HB1 ALA 36 HB1 ALA 36 13.170 -4.209 -1.282
293 HB2 ALA 36 HB2 ALA 36 12.821 -5.937 -1.230
294 HB3 ALA 36 HB3 ALA 36 12.291 -4.889 0.086
295 H ALA 37 HN ALA 37 9.442 -5.412 -3.432
296 HA ALA 37 HA ALA 37 11.287 -4.952 -5.698
297 HB1 ALA 37 HB1 ALA 37 9.047 -6.960 -5.479
298 HB2 ALA 37 HB2 ALA 37 10.773 -7.317 -5.434
299 HB3 ALA 37 HB3 ALA 37 10.040 -6.688 -6.910
300 H LYS 38 HN LYS 38 7.936 -4.925 -4.626
301 HA LYS 38 HA LYS 38 7.300 -2.906 -6.673
302 HB2 LYS 38 HB2 LYS 38 5.457 -4.674 -5.057
303 HB3 LYS 38 HB1 LYS 38 4.940 -3.480 -6.240
304 HG2 LYS 38 HG2 LYS 38 6.038 -4.725 -8.011
305 HG3 LYS 38 HG1 LYS 38 6.624 -5.905 -6.836
306 HD2 LYS 38 HD2 LYS 38 4.299 -6.446 -6.259
307 HD3 LYS 38 HD1 LYS 38 3.740 -5.310 -7.485
308 HE2 LYS 38 HE2 LYS 38 5.395 -7.786 -7.966
309 HE3 LYS 38 HE1 LYS 38 3.680 -7.597 -8.324
310 HZ1 LYS 38 HZ1 LYS 38 5.930 -6.138 -9.595
311 HZ2 LYS 38 HZ2 LYS 38 4.302 -5.788 -9.868
312 HZ3 LYS 38 HZ3 LYS 38 4.930 -7.293 -10.319
313 H HIS 39 HN HIS 39 7.249 -3.700 -3.255
314 HA HIS 39 HA HIS 39 6.217 -1.100 -2.499
315 HB2 HIS 39 HB2 HIS 39 5.819 -3.211 -1.154
316 HB3 HIS 39 HB1 HIS 39 7.521 -3.171 -0.713
317 HD1 HIS 39 HD1 HIS 39 7.430 -2.535 1.741
318 HD2 HIS 39 HD2 HIS 39 5.027 -0.139 -0.652
319 HE1 HIS 39 HE1 HIS 39 6.565 -0.679 3.232
320 H VAL 40 HN VAL 40 7.594 0.457 -3.187
321 HA VAL 40 HA VAL 40 10.461 0.024 -2.985
322 HB VAL 40 HB VAL 40 8.970 2.309 -4.273
323 HG11 VAL 40 HG11 VAL 40 11.841 1.435 -4.533
324 HG12 VAL 40 HG12 VAL 40 11.266 2.873 -3.691
325 HG13 VAL 40 HG13 VAL 40 11.073 2.738 -5.439
326 HG21 VAL 40 HG21 VAL 40 8.420 0.169 -5.320
327 HG22 VAL 40 HG22 VAL 40 10.138 -0.176 -5.524
328 HG23 VAL 40 HG23 VAL 40 9.400 1.170 -6.392
329 H HIS 41 HN HIS 41 11.743 0.903 -1.545
330 HA HIS 41 HA HIS 41 10.891 3.289 -0.097
331 HB2 HIS 41 HB2 HIS 41 11.229 0.604 1.085
332 HB3 HIS 41 HB1 HIS 41 11.958 1.936 1.971
333 HD1 HIS 41 HD1 HIS 41 9.843 0.706 3.528
334 HD2 HIS 41 HD2 HIS 41 8.940 3.494 0.576
335 HE1 HIS 41 HE1 HIS 41 7.659 1.793 4.203
336 H LYS 42 HN LYS 42 12.464 4.667 0.320
337 HA LYS 42 HA LYS 42 15.196 3.655 0.617
338 HB2 LYS 42 HB2 LYS 42 16.037 5.707 -0.553
339 HB3 LYS 42 HB1 LYS 42 15.211 4.560 -1.595
340 HG2 LYS 42 HG2 LYS 42 13.191 5.952 -1.500
341 HG3 LYS 42 HG1 LYS 42 14.061 7.117 -0.498
342 HD2 LYS 42 HD2 LYS 42 15.647 7.519 -2.280
343 HD3 LYS 42 HD1 LYS 42 14.892 6.273 -3.273
344 HE2 LYS 42 HE2 LYS 42 13.580 8.821 -2.341
345 HE3 LYS 42 HE1 LYS 42 14.212 8.522 -3.958
346 HZ1 LYS 42 HZ1 LYS 42 12.614 6.714 -4.194
347 HZ2 LYS 42 HZ2 LYS 42 11.840 8.188 -3.906
348 HZ3 LYS 42 HZ3 LYS 42 11.982 7.051 -2.662
349 H GLU 43 HN GLU 43 12.847 4.658 2.244
350 HA GLU 43 HA GLU 43 12.422 5.819 4.129
351 HB2 GLU 43 HB2 GLU 43 15.392 5.417 4.415
352 HB3 GLU 43 HB1 GLU 43 14.368 6.044 5.701
353 HG2 GLU 43 HG2 GLU 43 14.215 3.335 4.404
354 HG3 GLU 43 HG1 GLU 43 14.686 3.708 6.063
355 H SER 44 HN SER 44 12.342 7.517 2.099
356 HA SER 44 HA SER 44 12.397 9.712 1.534
357 HB2 SER 44 HB2 SER 44 13.001 10.091 4.477
358 HB3 SER 44 HB1 SER 44 12.430 11.342 3.374
359 HG SER 44 HG SER 44 11.060 9.000 4.208
360 H GLU 45 HN GLU 45 14.432 8.960 0.400
361 HA GLU 45 HA GLU 45 16.946 9.790 1.519
362 HB2 GLU 45 HB2 GLU 45 16.520 7.897 -0.197
363 HB3 GLU 45 HB1 GLU 45 16.468 9.187 -1.391
364 HG2 GLU 45 HG2 GLU 45 18.662 8.309 -1.408
365 HG3 GLU 45 HG1 GLU 45 18.745 9.877 -0.608
366 H GLN 46 HN GLN 46 16.076 11.962 1.965
367 HA GLN 46 HA GLN 46 16.079 13.734 -0.373
368 HB2 GLN 46 HB2 GLN 46 15.057 14.173 2.440
369 HB3 GLN 46 HB1 GLN 46 15.009 15.375 1.157
370 HG2 GLN 46 HG2 GLN 46 13.473 14.079 -0.110
371 HG3 GLN 46 HG1 GLN 46 13.671 12.690 0.957
372 HE21 GLN 46 HE21 GLN 46 12.274 15.857 0.600
373 HE22 GLN 46 HE22 GLN 46 11.176 15.739 1.933
Start of MODEL 14
1 H1 GLY -2 HT1 GLY -2 -24.262 -1.970 -3.843
2 H2 GLY -2 HT2 GLY -2 -23.882 -0.670 -2.835
3 H3 GLY -2 HT3 GLY -2 -23.261 -0.729 -4.404
4 HA2 GLY -2 HA1 GLY -2 -25.496 -0.543 -5.314
5 HA3 GLY -2 HA2 GLY -2 -26.117 -0.436 -3.674
6 HA PRO -1 HA PRO -1 -25.355 3.879 -5.329
7 HB2 PRO -1 HB2 PRO -1 -27.906 4.333 -3.900
8 HB3 PRO -1 HB1 PRO -1 -27.424 4.829 -5.525
9 HG2 PRO -1 HG2 PRO -1 -29.181 2.857 -5.163
10 HG3 PRO -1 HG1 PRO -1 -27.969 2.777 -6.457
11 HD2 PRO -1 HD2 PRO -1 -27.985 1.414 -3.789
12 HD3 PRO -1 HD1 PRO -1 -27.517 0.772 -5.377
13 H HIS 0 HN HIS 0 -26.162 2.530 -2.204
14 HA HIS 0 HA HIS 0 -25.382 4.953 -0.800
15 HB2 HIS 0 HB2 HIS 0 -26.253 2.254 0.253
16 HB3 HIS 0 HB1 HIS 0 -25.879 3.647 1.261
17 HD1 HIS 0 HD1 HIS 0 -28.701 1.964 0.247
18 HD2 HIS 0 HD2 HIS 0 -27.618 5.969 0.021
19 HE1 HIS 0 HE1 HIS 0 -30.857 3.234 0.016
20 HE2 HIS 0 HE2 HIS 0 -30.153 5.627 -0.338
21 H MET 1 HN MET 1 -23.221 4.736 -1.900
22 HA MET 1 HA MET 1 -21.410 3.372 -0.037
23 HB2 MET 1 HB2 MET 1 -21.169 3.361 -3.056
24 HB3 MET 1 HB1 MET 1 -19.891 2.854 -1.961
25 HG2 MET 1 HG2 MET 1 -21.321 1.072 -1.106
26 HG3 MET 1 HG1 MET 1 -22.611 1.587 -2.189
27 HE1 MET 1 HE1 MET 1 -18.609 -0.244 -3.583
28 HE2 MET 1 HE2 MET 1 -19.071 -0.054 -1.892
29 HE3 MET 1 HE3 MET 1 -18.730 1.368 -2.877
30 H VAL 2 HN VAL 2 -19.657 4.565 0.552
31 HA VAL 2 HA VAL 2 -19.657 7.338 -0.371
32 HB VAL 2 HB VAL 2 -18.161 7.770 1.573
33 HG11 VAL 2 HG11 VAL 2 -20.556 8.114 1.765
34 HG12 VAL 2 HG12 VAL 2 -19.902 7.504 3.283
35 HG13 VAL 2 HG13 VAL 2 -20.784 6.424 2.206
36 HG21 VAL 2 HG21 VAL 2 -17.917 6.055 3.297
37 HG22 VAL 2 HG22 VAL 2 -17.173 5.545 1.782
38 HG23 VAL 2 HG23 VAL 2 -18.738 4.888 2.261
39 H SER 3 HN SER 3 -17.911 4.453 -0.677
40 HA SER 3 HA SER 3 -16.093 3.840 -1.872
41 HB2 SER 3 HB2 SER 3 -16.252 6.610 -3.074
42 HB3 SER 3 HB1 SER 3 -15.453 5.201 -3.772
43 HG SER 3 HG SER 3 -17.439 4.225 -4.043
44 H SER 4 HN SER 4 -15.698 5.035 0.721
45 HA SER 4 HA SER 4 -13.291 6.637 0.504
46 HB2 SER 4 HB2 SER 4 -14.669 5.538 2.966
47 HB3 SER 4 HB1 SER 4 -13.402 6.765 2.938
48 HG SER 4 HG SER 4 -14.990 7.913 1.478
49 H ALA 5 HN ALA 5 -13.738 3.579 -0.086
50 HA ALA 5 HA ALA 5 -11.579 2.490 1.545
51 HB1 ALA 5 HB1 ALA 5 -13.434 1.144 -0.420
52 HB2 ALA 5 HB2 ALA 5 -13.553 1.087 1.338
53 HB3 ALA 5 HB3 ALA 5 -12.187 0.326 0.520
54 H VAL 6 HN VAL 6 -10.140 0.939 0.251
55 HA VAL 6 HA VAL 6 -9.246 2.212 -2.203
56 HB VAL 6 HB VAL 6 -8.290 3.413 -0.170
57 HG11 VAL 6 HG11 VAL 6 -6.355 2.380 0.911
58 HG12 VAL 6 HG12 VAL 6 -6.684 0.876 0.053
59 HG13 VAL 6 HG13 VAL 6 -7.844 1.491 1.229
60 HG21 VAL 6 HG21 VAL 6 -6.400 2.209 -2.166
61 HG22 VAL 6 HG22 VAL 6 -6.092 3.641 -1.182
62 HG23 VAL 6 HG23 VAL 6 -7.384 3.655 -2.381
63 H LYS 7 HN LYS 7 -7.733 0.916 -3.372
64 HA LYS 7 HA LYS 7 -7.807 -1.908 -2.592
65 HB2 LYS 7 HB2 LYS 7 -6.912 -0.740 -5.229
66 HB3 LYS 7 HB1 LYS 7 -7.284 -2.421 -4.881
67 HG2 LYS 7 HG2 LYS 7 -9.241 -0.143 -4.952
68 HG3 LYS 7 HG1 LYS 7 -9.058 -1.416 -6.155
69 HD2 LYS 7 HD2 LYS 7 -9.628 -3.069 -4.360
70 HD3 LYS 7 HD1 LYS 7 -10.007 -1.701 -3.309
71 HE2 LYS 7 HE2 LYS 7 -11.608 -0.920 -5.077
72 HE3 LYS 7 HE1 LYS 7 -11.331 -2.449 -5.906
73 HZ1 LYS 7 HZ1 LYS 7 -13.300 -2.607 -4.578
74 HZ2 LYS 7 HZ2 LYS 7 -12.478 -2.092 -3.192
75 HZ3 LYS 7 HZ3 LYS 7 -12.112 -3.591 -3.886
76 H CYS 8 HN CYS 8 -5.866 -3.212 -2.869
77 HA CYS 8 HA CYS 8 -3.573 -2.093 -1.678
78 HB2 CYS 8 HB2 CYS 8 -4.170 -4.502 -1.618
79 HB3 CYS 8 HB1 CYS 8 -3.792 -4.620 -3.330
80 H GLY 9 HN GLY 9 -2.209 -0.687 -2.584
81 HA2 GLY 9 HA2 GLY 9 -2.177 -0.280 -5.437
82 HA3 GLY 9 HA1 GLY 9 -1.248 0.610 -4.238
83 H ILE 10 HN ILE 10 -0.844 -2.697 -3.818
84 HA ILE 10 HA ILE 10 1.726 -2.540 -5.225
85 HB ILE 10 HB ILE 10 1.060 -4.315 -2.879
86 HG12 ILE 10 HG12 ILE 10 2.339 -1.585 -3.037
87 HG13 ILE 10 HG11 ILE 10 0.952 -2.078 -2.074
88 HG21 ILE 10 HG21 ILE 10 3.711 -3.580 -4.120
89 HG22 ILE 10 HG22 ILE 10 2.881 -5.124 -4.321
90 HG23 ILE 10 HG23 ILE 10 3.469 -4.639 -2.731
91 HD11 ILE 10 HD11 ILE 10 2.363 -3.350 -0.609
92 HD12 ILE 10 HD12 ILE 10 3.008 -1.716 -0.757
93 HD13 ILE 10 HD13 ILE 10 3.759 -3.046 -1.633
94 H CYS 11 HN CYS 11 -1.054 -4.662 -4.588
95 HA CYS 11 HA CYS 11 -0.128 -6.273 -6.873
96 HB2 CYS 11 HB2 CYS 11 -1.017 -8.270 -5.904
97 HB3 CYS 11 HB1 CYS 11 -0.015 -7.483 -4.690
98 H ARG 12 HN ARG 12 -2.570 -4.337 -5.598
99 HA ARG 12 HA ARG 12 -4.589 -3.634 -6.324
100 HB2 ARG 12 HB2 ARG 12 -3.730 -4.938 -8.911
101 HB3 ARG 12 HB1 ARG 12 -5.091 -3.839 -8.738
102 HG2 ARG 12 HG2 ARG 12 -2.209 -3.147 -8.198
103 HG3 ARG 12 HG1 ARG 12 -3.112 -2.728 -9.656
104 HD2 ARG 12 HD2 ARG 12 -4.662 -1.403 -8.332
105 HD3 ARG 12 HD1 ARG 12 -3.812 -1.855 -6.856
106 HE ARG 12 HE ARG 12 -1.884 -0.721 -8.403
107 HH11 ARG 12 HH11 ARG 12 -5.052 0.332 -7.339
108 HH12 ARG 12 HH12 ARG 12 -4.599 2.005 -7.236
109 HH21 ARG 12 HH21 ARG 12 -1.293 1.490 -8.269
110 HH22 ARG 12 HH22 ARG 12 -2.472 2.660 -7.764
111 H GLY 13 HN GLY 13 -4.282 -6.392 -5.176
112 HA2 GLY 13 HA2 GLY 13 -6.227 -8.005 -6.558
113 HA3 GLY 13 HA1 GLY 13 -5.426 -8.396 -5.047
114 H VAL 14 HN VAL 14 -6.154 -7.110 -3.132
115 HA VAL 14 HA VAL 14 -9.047 -6.609 -3.317
116 HB VAL 14 HB VAL 14 -9.323 -7.400 -1.049
117 HG11 VAL 14 HG11 VAL 14 -8.786 -9.769 -1.340
118 HG12 VAL 14 HG12 VAL 14 -7.704 -9.358 -2.672
119 HG13 VAL 14 HG13 VAL 14 -9.437 -9.067 -2.821
120 HG21 VAL 14 HG21 VAL 14 -7.438 -8.437 0.182
121 HG22 VAL 14 HG22 VAL 14 -7.235 -6.702 -0.067
122 HG23 VAL 14 HG23 VAL 14 -6.340 -7.845 -1.068
123 H ASP 15 HN ASP 15 -9.501 -5.490 -0.874
124 HA ASP 15 HA ASP 15 -8.740 -2.833 -1.214
125 HB2 ASP 15 HB2 ASP 15 -9.659 -2.486 1.058
126 HB3 ASP 15 HB1 ASP 15 -10.730 -3.417 0.021
127 H GLY 16 HN GLY 16 -7.290 -1.516 -0.225
128 HA2 GLY 16 HA2 GLY 16 -4.954 -2.807 0.951
129 HA3 GLY 16 HA1 GLY 16 -5.077 -1.123 0.451
130 H LYS 17 HN LYS 17 -6.396 -3.403 2.791
131 HA LYS 17 HA LYS 17 -7.426 -1.497 4.583
132 HB2 LYS 17 HB2 LYS 17 -7.212 -3.483 6.228
133 HB3 LYS 17 HB1 LYS 17 -8.302 -3.614 4.853
134 HG2 LYS 17 HG2 LYS 17 -6.825 -5.003 3.677
135 HG3 LYS 17 HG1 LYS 17 -5.483 -4.630 4.755
136 HD2 LYS 17 HD2 LYS 17 -6.304 -6.824 5.270
137 HD3 LYS 17 HD1 LYS 17 -6.726 -5.731 6.588
138 HE2 LYS 17 HE2 LYS 17 -8.575 -7.250 5.982
139 HE3 LYS 17 HE1 LYS 17 -8.990 -5.549 5.776
140 HZ1 LYS 17 HZ1 LYS 17 -8.768 -5.727 3.440
141 HZ2 LYS 17 HZ2 LYS 17 -9.689 -7.062 3.931
142 HZ3 LYS 17 HZ3 LYS 17 -8.057 -7.264 3.545
143 H TYR 18 HN TYR 18 -4.231 -2.767 4.170
144 HA TYR 18 HA TYR 18 -3.328 -1.485 6.641
145 HB2 TYR 18 HB2 TYR 18 -2.182 -3.577 4.828
146 HB3 TYR 18 HB1 TYR 18 -1.110 -2.647 5.864
147 HD1 TYR 18 HD1 TYR 18 -4.289 -4.560 6.104
148 HD2 TYR 18 HD2 TYR 18 -0.595 -3.552 7.928
149 HE1 TYR 18 HE1 TYR 18 -4.785 -6.112 7.932
150 HE2 TYR 18 HE2 TYR 18 -1.078 -5.104 9.776
151 HH TYR 18 HH TYR 18 -3.590 -7.392 9.633
152 H LYS 19 HN LYS 19 -1.609 0.047 6.580
153 HA LYS 19 HA LYS 19 -1.118 1.272 3.961
154 HB2 LYS 19 HB2 LYS 19 -3.101 2.332 5.141
155 HB3 LYS 19 HB1 LYS 19 -1.986 2.864 6.382
156 HG2 LYS 19 HG2 LYS 19 -1.584 3.600 3.511
157 HG3 LYS 19 HG1 LYS 19 -2.681 4.504 4.545
158 HD2 LYS 19 HD2 LYS 19 -0.689 4.692 6.150
159 HD3 LYS 19 HD1 LYS 19 0.285 4.185 4.765
160 HE2 LYS 19 HE2 LYS 19 0.331 6.536 4.742
161 HE3 LYS 19 HE1 LYS 19 -0.813 6.063 3.487
162 HZ1 LYS 19 HZ1 LYS 19 -2.629 6.533 4.993
163 HZ2 LYS 19 HZ2 LYS 19 -1.641 7.897 4.836
164 HZ3 LYS 19 HZ3 LYS 19 -1.544 6.942 6.224
165 H CYS 20 HN CYS 20 0.817 2.394 3.797
166 HA CYS 20 HA CYS 20 2.716 1.896 5.979
167 HB2 CYS 20 HB2 CYS 20 3.350 1.116 3.727
168 HB3 CYS 20 HB1 CYS 20 3.253 2.769 3.133
169 HA PRO 21 HA PRO 21 2.042 6.259 6.890
170 HB2 PRO 21 HB2 PRO 21 3.498 6.260 9.188
171 HB3 PRO 21 HB1 PRO 21 1.835 5.670 9.097
172 HG2 PRO 21 HG2 PRO 21 4.400 4.120 9.046
173 HG3 PRO 21 HG1 PRO 21 2.903 3.777 9.936
174 HD2 PRO 21 HD2 PRO 21 3.515 2.509 7.636
175 HD3 PRO 21 HD1 PRO 21 1.842 2.914 8.074
176 H LYS 22 HN LYS 22 4.766 4.681 5.820
177 HA LYS 22 HA LYS 22 6.562 6.946 6.234
178 HB2 LYS 22 HB2 LYS 22 7.107 4.274 4.941
179 HB3 LYS 22 HB1 LYS 22 8.306 5.494 5.345
180 HG2 LYS 22 HG2 LYS 22 6.591 3.993 7.305
181 HG3 LYS 22 HG1 LYS 22 8.289 3.674 6.961
182 HD2 LYS 22 HD2 LYS 22 8.793 6.014 7.690
183 HD3 LYS 22 HD1 LYS 22 7.109 6.158 8.197
184 HE2 LYS 22 HE2 LYS 22 8.438 5.604 10.113
185 HE3 LYS 22 HE1 LYS 22 7.451 4.205 9.692
186 HZ1 LYS 22 HZ1 LYS 22 9.711 3.554 10.214
187 HZ2 LYS 22 HZ2 LYS 22 10.320 4.572 9.013
188 HZ3 LYS 22 HZ3 LYS 22 9.380 3.235 8.588
189 H CYS 23 HN CYS 23 5.583 4.891 3.469
190 HA CYS 23 HA CYS 23 6.381 7.079 1.702
191 HB2 CYS 23 HB2 CYS 23 6.175 5.445 -0.147
192 HB3 CYS 23 HB1 CYS 23 7.311 4.931 1.089
193 H GLY 24 HN GLY 24 3.593 5.373 2.824
194 HA2 GLY 24 HA2 GLY 24 1.453 6.379 2.831
195 HA3 GLY 24 HA1 GLY 24 1.919 7.328 1.427
196 H VAL 25 HN VAL 25 2.707 3.986 1.465
197 HA VAL 25 HA VAL 25 0.978 3.595 -0.822
198 HB VAL 25 HB VAL 25 3.415 2.764 -0.608
199 HG11 VAL 25 HG11 VAL 25 3.270 1.643 1.511
200 HG12 VAL 25 HG12 VAL 25 3.625 0.461 0.254
201 HG13 VAL 25 HG13 VAL 25 1.991 0.587 0.909
202 HG21 VAL 25 HG21 VAL 25 2.954 0.823 -2.027
203 HG22 VAL 25 HG22 VAL 25 1.995 2.228 -2.488
204 HG23 VAL 25 HG23 VAL 25 1.251 0.913 -1.580
205 H ARG 26 HN ARG 26 -0.390 1.741 -0.991
206 HA ARG 26 HA ARG 26 -1.603 0.946 1.569
207 HB2 ARG 26 HB2 ARG 26 -2.830 1.485 -1.137
208 HB3 ARG 26 HB1 ARG 26 -3.671 0.554 0.092
209 HG2 ARG 26 HG2 ARG 26 -2.670 3.355 0.514
210 HG3 ARG 26 HG1 ARG 26 -4.306 2.957 -0.020
211 HD2 ARG 26 HD2 ARG 26 -4.566 1.569 2.025
212 HD3 ARG 26 HD1 ARG 26 -2.990 2.143 2.566
213 HE ARG 26 HE ARG 26 -4.219 4.452 2.206
214 HH11 ARG 26 HH11 ARG 26 -5.471 1.510 3.624
215 HH12 ARG 26 HH12 ARG 26 -6.521 2.338 4.730
216 HH21 ARG 26 HH21 ARG 26 -5.597 5.552 3.652
217 HH22 ARG 26 HH22 ARG 26 -6.600 4.643 4.741
218 H TYR 27 HN TYR 27 -1.574 -1.165 2.006
219 HA TYR 27 HA TYR 27 -1.379 -3.025 -0.250
220 HB2 TYR 27 HB2 TYR 27 -0.047 -4.426 1.650
221 HB3 TYR 27 HB1 TYR 27 0.727 -3.489 0.387
222 HD1 TYR 27 HD1 TYR 27 -0.760 -2.828 3.737
223 HD2 TYR 27 HD2 TYR 27 2.500 -2.215 1.096
224 HE1 TYR 27 HE1 TYR 27 0.383 -1.479 5.454
225 HE2 TYR 27 HE2 TYR 27 3.650 -0.882 2.807
226 HH TYR 27 HH TYR 27 2.582 -0.800 6.054
227 H CYS 28 HN CYS 28 -2.304 -4.958 -0.009
228 HA CYS 28 HA CYS 28 -4.689 -5.009 1.462
229 HB2 CYS 28 HB2 CYS 28 -4.939 -7.268 0.530
230 HB3 CYS 28 HB1 CYS 28 -4.465 -6.108 -0.698
231 H SER 29 HN SER 29 -1.499 -6.269 2.082
232 HA SER 29 HA SER 29 -2.084 -6.960 4.761
233 HB2 SER 29 HB2 SER 29 -1.714 -9.269 2.825
234 HB3 SER 29 HB1 SER 29 -1.651 -9.417 4.579
235 HG SER 29 HG SER 29 -3.912 -8.154 3.697
236 H LEU 30 HN LEU 30 -0.129 -8.560 5.518
237 HA LEU 30 HA LEU 30 2.201 -7.040 5.277
238 HB2 LEU 30 HB2 LEU 30 1.694 -9.814 6.284
239 HB3 LEU 30 HB1 LEU 30 3.310 -9.135 6.259
240 HG LEU 30 HG LEU 30 0.951 -7.974 7.751
241 HD11 LEU 30 HD11 LEU 30 2.122 -8.707 9.751
242 HD12 LEU 30 HD12 LEU 30 3.378 -9.444 8.757
243 HD13 LEU 30 HD13 LEU 30 1.732 -10.076 8.711
244 HD21 LEU 30 HD21 LEU 30 3.858 -7.181 7.721
245 HD22 LEU 30 HD22 LEU 30 2.620 -6.508 8.778
246 HD23 LEU 30 HD23 LEU 30 2.523 -6.260 7.037
247 H LYS 31 HN LYS 31 1.034 -9.656 3.331
248 HA LYS 31 HA LYS 31 3.386 -10.600 2.211
249 HB2 LYS 31 HB2 LYS 31 0.667 -10.280 0.929
250 HB3 LYS 31 HB1 LYS 31 1.978 -11.232 0.252
251 HG2 LYS 31 HG2 LYS 31 0.648 -11.730 2.903
252 HG3 LYS 31 HG1 LYS 31 0.338 -12.619 1.411
253 HD2 LYS 31 HD2 LYS 31 2.976 -12.476 2.874
254 HD3 LYS 31 HD1 LYS 31 1.867 -13.845 2.876
255 HE2 LYS 31 HE2 LYS 31 2.156 -14.079 0.457
256 HE3 LYS 31 HE1 LYS 31 3.266 -12.711 0.457
257 HZ1 LYS 31 HZ1 LYS 31 4.757 -13.961 1.881
258 HZ2 LYS 31 HZ2 LYS 31 4.451 -14.807 0.450
259 HZ3 LYS 31 HZ3 LYS 31 3.691 -15.275 1.887
260 H CYS 32 HN CYS 32 1.471 -7.778 1.359
261 HA CYS 32 HA CYS 32 3.396 -7.056 -0.709
262 HB2 CYS 32 HB2 CYS 32 0.754 -5.822 0.094
263 HB3 CYS 32 HB1 CYS 32 1.787 -5.210 -1.197
264 H TYR 33 HN TYR 33 2.496 -6.283 2.525
265 HA TYR 33 HA TYR 33 3.654 -3.743 2.809
266 HB2 TYR 33 HB2 TYR 33 2.200 -5.038 4.473
267 HB3 TYR 33 HB1 TYR 33 3.663 -5.905 4.919
268 HD1 TYR 33 HD1 TYR 33 5.237 -3.086 4.407
269 HD2 TYR 33 HD2 TYR 33 2.060 -4.430 6.893
270 HE1 TYR 33 HE1 TYR 33 5.763 -1.315 6.042
271 HE2 TYR 33 HE2 TYR 33 2.585 -2.682 8.531
272 HH TYR 33 HH TYR 33 4.615 -1.310 9.178
273 H LYS 34 HN LYS 34 5.006 -6.950 3.548
274 HA LYS 34 HA LYS 34 7.640 -5.807 3.922
275 HB2 LYS 34 HB2 LYS 34 6.681 -8.667 4.106
276 HB3 LYS 34 HB1 LYS 34 8.286 -8.105 4.547
277 HG2 LYS 34 HG2 LYS 34 7.279 -6.665 6.273
278 HG3 LYS 34 HG1 LYS 34 5.694 -7.317 5.859
279 HD2 LYS 34 HD2 LYS 34 6.449 -9.560 6.457
280 HD3 LYS 34 HD1 LYS 34 8.050 -8.929 6.836
281 HE2 LYS 34 HE2 LYS 34 5.484 -8.189 8.234
282 HE3 LYS 34 HE1 LYS 34 6.719 -9.280 8.855
283 HZ1 LYS 34 HZ1 LYS 34 8.292 -7.428 8.822
284 HZ2 LYS 34 HZ2 LYS 34 6.964 -7.101 9.815
285 HZ3 LYS 34 HZ3 LYS 34 7.069 -6.389 8.288
286 H ASP 35 HN ASP 35 6.766 -5.466 1.315
287 HA ASP 35 HA ASP 35 8.486 -7.311 -0.180
288 HB2 ASP 35 HB2 ASP 35 6.214 -7.322 -1.015
289 HB3 ASP 35 HB1 ASP 35 6.188 -5.565 -1.083
290 H ALA 36 HN ALA 36 10.005 -6.416 -1.617
291 HA ALA 36 HA ALA 36 10.506 -3.534 -1.288
292 HB1 ALA 36 HB1 ALA 36 12.075 -4.786 0.105
293 HB2 ALA 36 HB2 ALA 36 12.907 -3.969 -1.218
294 HB3 ALA 36 HB3 ALA 36 12.602 -5.703 -1.306
295 H ALA 37 HN ALA 37 9.620 -5.796 -3.398
296 HA ALA 37 HA ALA 37 11.315 -5.010 -5.628
297 HB1 ALA 37 HB1 ALA 37 8.943 -6.870 -5.524
298 HB2 ALA 37 HB2 ALA 37 10.636 -7.349 -5.416
299 HB3 ALA 37 HB3 ALA 37 10.014 -6.639 -6.905
300 H LYS 38 HN LYS 38 7.938 -4.810 -4.625
301 HA LYS 38 HA LYS 38 7.453 -2.756 -6.672
302 HB2 LYS 38 HB2 LYS 38 5.511 -4.308 -4.957
303 HB3 LYS 38 HB1 LYS 38 5.065 -3.108 -6.163
304 HG2 LYS 38 HG2 LYS 38 6.030 -4.503 -7.915
305 HG3 LYS 38 HG1 LYS 38 6.492 -5.704 -6.706
306 HD2 LYS 38 HD2 LYS 38 4.151 -6.009 -6.112
307 HD3 LYS 38 HD1 LYS 38 3.678 -4.803 -7.305
308 HE2 LYS 38 HE2 LYS 38 3.327 -7.008 -8.211
309 HE3 LYS 38 HE1 LYS 38 4.643 -6.221 -9.076
310 HZ1 LYS 38 HZ1 LYS 38 5.182 -8.506 -8.582
311 HZ2 LYS 38 HZ2 LYS 38 4.939 -8.246 -6.929
312 HZ3 LYS 38 HZ3 LYS 38 6.216 -7.476 -7.726
313 H HIS 39 HN HIS 39 7.155 -3.484 -3.227
314 HA HIS 39 HA HIS 39 6.465 -0.747 -2.578
315 HB2 HIS 39 HB2 HIS 39 5.547 -2.637 -1.276
316 HB3 HIS 39 HB1 HIS 39 7.172 -3.080 -0.777
317 HD1 HIS 39 HD1 HIS 39 6.760 -2.683 1.735
318 HD2 HIS 39 HD2 HIS 39 5.948 0.622 -0.652
319 HE1 HIS 39 HE1 HIS 39 6.480 -0.730 3.301
320 H VAL 40 HN VAL 40 8.246 0.411 -3.369
321 HA VAL 40 HA VAL 40 10.865 -0.285 -2.285
322 HB VAL 40 HB VAL 40 10.135 1.637 -4.493
323 HG11 VAL 40 HG11 VAL 40 12.161 2.362 -3.362
324 HG12 VAL 40 HG12 VAL 40 12.544 1.727 -4.962
325 HG13 VAL 40 HG13 VAL 40 12.850 0.749 -3.528
326 HG21 VAL 40 HG21 VAL 40 11.159 -0.026 -5.973
327 HG22 VAL 40 HG22 VAL 40 9.769 -0.685 -5.111
328 HG23 VAL 40 HG23 VAL 40 11.403 -1.097 -4.592
329 H HIS 41 HN HIS 41 11.647 0.688 -0.621
330 HA HIS 41 HA HIS 41 10.750 3.392 0.008
331 HB2 HIS 41 HB2 HIS 41 11.769 1.153 1.641
332 HB3 HIS 41 HB1 HIS 41 12.307 2.761 2.118
333 HD1 HIS 41 HD1 HIS 41 10.569 1.557 4.169
334 HD2 HIS 41 HD2 HIS 41 8.995 3.480 0.845
335 HE1 HIS 41 HE1 HIS 41 8.294 2.430 4.857
336 H LYS 42 HN LYS 42 11.886 4.989 -0.632
337 HA LYS 42 HA LYS 42 14.812 4.808 -0.701
338 HB2 LYS 42 HB2 LYS 42 14.848 5.923 -2.888
339 HB3 LYS 42 HB1 LYS 42 13.993 4.390 -2.994
340 HG2 LYS 42 HG2 LYS 42 11.856 5.593 -2.858
341 HG3 LYS 42 HG1 LYS 42 12.735 7.121 -2.809
342 HD2 LYS 42 HD2 LYS 42 13.751 6.497 -5.015
343 HD3 LYS 42 HD1 LYS 42 12.641 5.126 -5.064
344 HE2 LYS 42 HE2 LYS 42 11.856 8.031 -4.886
345 HE3 LYS 42 HE1 LYS 42 11.780 7.034 -6.335
346 HZ1 LYS 42 HZ1 LYS 42 10.239 6.567 -3.836
347 HZ2 LYS 42 HZ2 LYS 42 10.152 5.632 -5.241
348 HZ3 LYS 42 HZ3 LYS 42 9.624 7.236 -5.261
349 H GLU 43 HN GLU 43 12.748 5.964 1.039
350 HA GLU 43 HA GLU 43 12.262 8.673 0.524
351 HB2 GLU 43 HB2 GLU 43 12.400 7.414 3.263
352 HB3 GLU 43 HB1 GLU 43 11.436 8.795 2.763
353 HG2 GLU 43 HG2 GLU 43 11.033 5.904 2.053
354 HG3 GLU 43 HG1 GLU 43 9.962 6.959 2.973
355 H SER 44 HN SER 44 14.690 7.115 2.587
356 HA SER 44 HA SER 44 16.034 9.654 3.016
357 HB2 SER 44 HB2 SER 44 15.879 8.025 4.872
358 HB3 SER 44 HB1 SER 44 16.778 6.852 3.913
359 HG SER 44 HG SER 44 17.667 9.241 5.109
360 H GLU 45 HN GLU 45 17.771 10.330 1.880
361 HA GLU 45 HA GLU 45 18.544 8.904 -0.466
362 HB2 GLU 45 HB2 GLU 45 18.505 11.381 -0.352
363 HB3 GLU 45 HB1 GLU 45 19.841 11.330 0.790
364 HG2 GLU 45 HG2 GLU 45 21.247 10.270 -0.909
365 HG3 GLU 45 HG1 GLU 45 19.908 10.343 -2.053
366 H GLN 46 HN GLN 46 19.420 6.990 0.085
367 HA GLN 46 HA GLN 46 21.808 6.987 1.793
368 HB2 GLN 46 HB2 GLN 46 20.069 4.666 0.916
369 HB3 GLN 46 HB1 GLN 46 21.411 4.585 2.051
370 HG2 GLN 46 HG2 GLN 46 20.231 5.910 3.647
371 HG3 GLN 46 HG1 GLN 46 18.942 6.241 2.494
372 HE21 GLN 46 HE21 GLN 46 20.430 3.097 2.850
373 HE22 GLN 46 HE22 GLN 46 19.050 2.316 3.544
Start of MODEL 15
1 H1 GLY -2 HT1 GLY -2 -22.687 9.376 -6.179
2 H2 GLY -2 HT2 GLY -2 -24.078 10.260 -5.814
3 H3 GLY -2 HT3 GLY -2 -22.755 10.297 -4.764
4 HA2 GLY -2 HA1 GLY -2 -22.846 11.399 -7.512
5 HA3 GLY -2 HA2 GLY -2 -22.842 12.330 -6.023
6 HA PRO -1 HA PRO -1 -18.493 12.307 -7.410
7 HB2 PRO -1 HB2 PRO -1 -17.780 14.494 -5.927
8 HB3 PRO -1 HB1 PRO -1 -18.491 14.584 -7.540
9 HG2 PRO -1 HG2 PRO -1 -19.793 14.923 -4.874
10 HG3 PRO -1 HG1 PRO -1 -20.053 15.833 -6.373
11 HD2 PRO -1 HD2 PRO -1 -21.750 13.909 -5.526
12 HD3 PRO -1 HD1 PRO -1 -21.458 14.228 -7.246
13 H HIS 0 HN HIS 0 -19.832 12.298 -4.189
14 HA HIS 0 HA HIS 0 -17.293 11.239 -3.144
15 HB2 HIS 0 HB2 HIS 0 -18.124 13.209 -1.942
16 HB3 HIS 0 HB1 HIS 0 -19.663 12.403 -1.662
17 HD1 HIS 0 HD1 HIS 0 -19.869 11.264 0.517
18 HD2 HIS 0 HD2 HIS 0 -15.897 11.734 -0.604
19 HE1 HIS 0 HE1 HIS 0 -18.516 10.437 2.465
20 HE2 HIS 0 HE2 HIS 0 -16.120 10.874 1.826
21 H MET 1 HN MET 1 -17.310 9.100 -3.422
22 HA MET 1 HA MET 1 -19.664 7.495 -3.318
23 HB2 MET 1 HB2 MET 1 -17.617 6.908 -4.612
24 HB3 MET 1 HB1 MET 1 -16.773 6.643 -3.094
25 HG2 MET 1 HG2 MET 1 -18.248 4.815 -2.545
26 HG3 MET 1 HG1 MET 1 -19.209 5.121 -3.990
27 HE1 MET 1 HE1 MET 1 -15.305 5.355 -3.743
28 HE2 MET 1 HE2 MET 1 -14.824 3.700 -4.122
29 HE3 MET 1 HE3 MET 1 -15.697 4.046 -2.628
30 H VAL 2 HN VAL 2 -20.609 6.540 -1.641
31 HA VAL 2 HA VAL 2 -19.990 7.386 0.986
32 HB VAL 2 HB VAL 2 -21.825 5.117 0.198
33 HG11 VAL 2 HG11 VAL 2 -21.281 5.223 2.586
34 HG12 VAL 2 HG12 VAL 2 -22.975 5.607 2.282
35 HG13 VAL 2 HG13 VAL 2 -21.828 6.898 2.631
36 HG21 VAL 2 HG21 VAL 2 -22.433 8.061 0.446
37 HG22 VAL 2 HG22 VAL 2 -23.623 6.784 0.191
38 HG23 VAL 2 HG23 VAL 2 -22.413 7.122 -1.046
39 H SER 3 HN SER 3 -19.586 4.302 -0.707
40 HA SER 3 HA SER 3 -18.218 3.152 1.581
41 HB2 SER 3 HB2 SER 3 -18.734 2.020 -1.181
42 HB3 SER 3 HB1 SER 3 -18.059 1.128 0.182
43 HG SER 3 HG SER 3 -20.675 1.962 -0.296
44 H SER 4 HN SER 4 -16.750 5.165 1.194
45 HA SER 4 HA SER 4 -14.824 5.114 -0.853
46 HB2 SER 4 HB2 SER 4 -13.523 6.587 0.773
47 HB3 SER 4 HB1 SER 4 -15.140 7.151 0.343
48 HG SER 4 HG SER 4 -14.465 5.680 2.682
49 H ALA 5 HN ALA 5 -13.413 3.562 -1.207
50 HA ALA 5 HA ALA 5 -11.842 2.491 0.997
51 HB1 ALA 5 HB1 ALA 5 -13.315 0.711 -0.947
52 HB2 ALA 5 HB2 ALA 5 -13.694 0.899 0.764
53 HB3 ALA 5 HB3 ALA 5 -12.160 0.175 0.273
54 H VAL 6 HN VAL 6 -10.051 1.164 0.193
55 HA VAL 6 HA VAL 6 -9.075 2.266 -2.343
56 HB VAL 6 HB VAL 6 -8.227 3.392 -0.197
57 HG11 VAL 6 HG11 VAL 6 -6.379 2.323 0.949
58 HG12 VAL 6 HG12 VAL 6 -6.583 0.875 -0.035
59 HG13 VAL 6 HG13 VAL 6 -7.845 1.354 1.099
60 HG21 VAL 6 HG21 VAL 6 -5.970 3.624 -1.106
61 HG22 VAL 6 HG22 VAL 6 -7.225 3.751 -2.338
62 HG23 VAL 6 HG23 VAL 6 -6.287 2.267 -2.188
63 H LYS 7 HN LYS 7 -7.556 0.945 -3.439
64 HA LYS 7 HA LYS 7 -7.689 -1.872 -2.616
65 HB2 LYS 7 HB2 LYS 7 -6.904 -0.804 -5.333
66 HB3 LYS 7 HB1 LYS 7 -7.319 -2.457 -4.902
67 HG2 LYS 7 HG2 LYS 7 -9.237 -0.150 -4.818
68 HG3 LYS 7 HG1 LYS 7 -9.096 -1.305 -6.144
69 HD2 LYS 7 HD2 LYS 7 -9.649 -3.131 -4.596
70 HD3 LYS 7 HD1 LYS 7 -9.817 -1.957 -3.288
71 HE2 LYS 7 HE2 LYS 7 -11.627 -0.864 -4.475
72 HE3 LYS 7 HE1 LYS 7 -11.429 -1.976 -5.826
73 HZ1 LYS 7 HZ1 LYS 7 -13.266 -2.611 -4.381
74 HZ2 LYS 7 HZ2 LYS 7 -12.206 -2.757 -3.072
75 HZ3 LYS 7 HZ3 LYS 7 -12.061 -3.798 -4.395
76 H CYS 8 HN CYS 8 -5.784 -3.161 -2.807
77 HA CYS 8 HA CYS 8 -3.494 -2.005 -1.697
78 HB2 CYS 8 HB2 CYS 8 -4.104 -4.428 -1.607
79 HB3 CYS 8 HB1 CYS 8 -3.648 -4.566 -3.296
80 H GLY 9 HN GLY 9 -2.182 -0.585 -2.649
81 HA2 GLY 9 HA2 GLY 9 -2.145 -0.230 -5.485
82 HA3 GLY 9 HA1 GLY 9 -1.156 0.627 -4.313
83 H ILE 10 HN ILE 10 -0.745 -2.612 -3.763
84 HA ILE 10 HA ILE 10 1.816 -2.489 -5.179
85 HB ILE 10 HB ILE 10 1.049 -4.241 -2.842
86 HG12 ILE 10 HG12 ILE 10 2.461 -1.577 -3.010
87 HG13 ILE 10 HG11 ILE 10 1.017 -1.980 -2.092
88 HG21 ILE 10 HG21 ILE 10 3.743 -3.650 -4.066
89 HG22 ILE 10 HG22 ILE 10 2.846 -5.157 -4.243
90 HG23 ILE 10 HG23 ILE 10 3.444 -4.668 -2.658
91 HD11 ILE 10 HD11 ILE 10 3.743 -3.090 -1.531
92 HD12 ILE 10 HD12 ILE 10 2.295 -3.283 -0.552
93 HD13 ILE 10 HD13 ILE 10 3.043 -1.696 -0.716
94 H CYS 11 HN CYS 11 -0.972 -4.606 -4.595
95 HA CYS 11 HA CYS 11 0.049 -6.304 -6.775
96 HB2 CYS 11 HB2 CYS 11 -0.956 -8.244 -5.766
97 HB3 CYS 11 HB1 CYS 11 0.053 -7.438 -4.571
98 H ARG 12 HN ARG 12 -2.465 -4.355 -5.639
99 HA ARG 12 HA ARG 12 -4.514 -3.787 -6.359
100 HB2 ARG 12 HB2 ARG 12 -3.223 -4.670 -8.932
101 HB3 ARG 12 HB1 ARG 12 -4.852 -4.007 -8.889
102 HG2 ARG 12 HG2 ARG 12 -3.437 -2.207 -9.422
103 HG3 ARG 12 HG1 ARG 12 -3.873 -1.996 -7.727
104 HD2 ARG 12 HD2 ARG 12 -1.530 -1.518 -8.024
105 HD3 ARG 12 HD1 ARG 12 -1.720 -2.987 -7.070
106 HE ARG 12 HE ARG 12 -1.429 -3.948 -9.570
107 HH11 ARG 12 HH11 ARG 12 0.439 -1.633 -7.702
108 HH12 ARG 12 HH12 ARG 12 1.936 -2.023 -8.488
109 HH21 ARG 12 HH21 ARG 12 0.544 -4.450 -10.603
110 HH22 ARG 12 HH22 ARG 12 1.994 -3.622 -10.132
111 H GLY 13 HN GLY 13 -4.282 -6.328 -5.188
112 HA2 GLY 13 HA2 GLY 13 -6.080 -8.047 -6.722
113 HA3 GLY 13 HA1 GLY 13 -5.215 -8.493 -5.258
114 H VAL 14 HN VAL 14 -5.906 -6.983 -3.321
115 HA VAL 14 HA VAL 14 -8.837 -6.802 -3.364
116 HB VAL 14 HB VAL 14 -8.925 -7.606 -1.051
117 HG11 VAL 14 HG11 VAL 14 -8.404 -9.952 -1.464
118 HG12 VAL 14 HG12 VAL 14 -7.444 -9.497 -2.869
119 HG13 VAL 14 HG13 VAL 14 -9.187 -9.221 -2.865
120 HG21 VAL 14 HG21 VAL 14 -5.967 -8.088 -1.365
121 HG22 VAL 14 HG22 VAL 14 -6.958 -8.620 -0.006
122 HG23 VAL 14 HG23 VAL 14 -6.724 -6.898 -0.306
123 H ASP 15 HN ASP 15 -9.452 -5.744 -1.073
124 HA ASP 15 HA ASP 15 -8.898 -3.033 -1.238
125 HB2 ASP 15 HB2 ASP 15 -10.868 -3.973 -0.133
126 HB3 ASP 15 HB1 ASP 15 -9.856 -4.688 1.112
127 H GLY 16 HN GLY 16 -7.401 -1.702 -0.373
128 HA2 GLY 16 HA2 GLY 16 -5.089 -2.903 0.927
129 HA3 GLY 16 HA1 GLY 16 -5.222 -1.247 0.351
130 H LYS 17 HN LYS 17 -6.355 -3.448 2.868
131 HA LYS 17 HA LYS 17 -7.497 -1.424 4.485
132 HB2 LYS 17 HB2 LYS 17 -7.331 -3.255 6.284
133 HB3 LYS 17 HB1 LYS 17 -8.349 -3.546 4.882
134 HG2 LYS 17 HG2 LYS 17 -6.835 -5.054 3.948
135 HG3 LYS 17 HG1 LYS 17 -5.515 -4.505 4.977
136 HD2 LYS 17 HD2 LYS 17 -6.484 -5.507 6.898
137 HD3 LYS 17 HD1 LYS 17 -7.994 -5.840 6.044
138 HE2 LYS 17 HE2 LYS 17 -6.742 -7.372 4.547
139 HE3 LYS 17 HE1 LYS 17 -5.300 -7.087 5.517
140 HZ1 LYS 17 HZ1 LYS 17 -6.381 -9.121 6.181
141 HZ2 LYS 17 HZ2 LYS 17 -7.832 -8.307 6.471
142 HZ3 LYS 17 HZ3 LYS 17 -6.481 -7.995 7.439
143 H TYR 18 HN TYR 18 -4.259 -2.719 4.268
144 HA TYR 18 HA TYR 18 -3.502 -1.362 6.744
145 HB2 TYR 18 HB2 TYR 18 -2.287 -3.513 5.077
146 HB3 TYR 18 HB1 TYR 18 -1.214 -2.495 6.019
147 HD1 TYR 18 HD1 TYR 18 -4.287 -4.558 6.405
148 HD2 TYR 18 HD2 TYR 18 -0.747 -3.059 8.208
149 HE1 TYR 18 HE1 TYR 18 -4.723 -5.939 8.388
150 HE2 TYR 18 HE2 TYR 18 -1.168 -4.437 10.199
151 HH TYR 18 HH TYR 18 -3.084 -5.512 11.322
152 H LYS 19 HN LYS 19 -1.681 0.103 6.772
153 HA LYS 19 HA LYS 19 -1.215 1.424 4.189
154 HB2 LYS 19 HB2 LYS 19 -3.096 2.425 5.680
155 HB3 LYS 19 HB1 LYS 19 -1.779 3.009 6.679
156 HG2 LYS 19 HG2 LYS 19 -1.866 3.629 3.756
157 HG3 LYS 19 HG1 LYS 19 -2.806 4.559 4.907
158 HD2 LYS 19 HD2 LYS 19 -0.505 4.736 6.158
159 HD3 LYS 19 HD1 LYS 19 0.138 4.406 4.548
160 HE2 LYS 19 HE2 LYS 19 -1.637 6.684 5.396
161 HE3 LYS 19 HE1 LYS 19 0.022 6.776 4.813
162 HZ1 LYS 19 HZ1 LYS 19 -1.472 7.423 3.077
163 HZ2 LYS 19 HZ2 LYS 19 -2.373 6.004 3.234
164 HZ3 LYS 19 HZ3 LYS 19 -0.788 5.939 2.648
165 H CYS 20 HN CYS 20 0.722 2.508 3.976
166 HA CYS 20 HA CYS 20 2.743 1.870 6.015
167 HB2 CYS 20 HB2 CYS 20 3.133 1.132 3.653
168 HB3 CYS 20 HB1 CYS 20 3.191 2.824 3.182
169 HA PRO 21 HA PRO 21 2.250 6.239 7.054
170 HB2 PRO 21 HB2 PRO 21 3.911 6.165 9.214
171 HB3 PRO 21 HB1 PRO 21 2.228 5.630 9.263
172 HG2 PRO 21 HG2 PRO 21 4.724 4.001 8.974
173 HG3 PRO 21 HG1 PRO 21 3.295 3.692 9.979
174 HD2 PRO 21 HD2 PRO 21 3.673 2.439 7.625
175 HD3 PRO 21 HD1 PRO 21 2.054 2.893 8.195
176 H LYS 22 HN LYS 22 5.012 4.515 6.077
177 HA LYS 22 HA LYS 22 6.880 6.688 6.398
178 HB2 LYS 22 HB2 LYS 22 7.258 4.101 4.891
179 HB3 LYS 22 HB1 LYS 22 8.514 5.188 5.462
180 HG2 LYS 22 HG2 LYS 22 6.637 3.626 7.221
181 HG3 LYS 22 HG1 LYS 22 8.303 3.184 6.853
182 HD2 LYS 22 HD2 LYS 22 9.088 5.247 7.904
183 HD3 LYS 22 HD1 LYS 22 7.420 5.708 8.254
184 HE2 LYS 22 HE2 LYS 22 7.169 3.713 9.650
185 HE3 LYS 22 HE1 LYS 22 8.836 3.260 9.301
186 HZ1 LYS 22 HZ1 LYS 22 7.965 5.714 10.729
187 HZ2 LYS 22 HZ2 LYS 22 9.566 5.303 10.377
188 HZ3 LYS 22 HZ3 LYS 22 8.663 4.346 11.438
189 H CYS 23 HN CYS 23 5.598 4.912 3.565
190 HA CYS 23 HA CYS 23 6.462 7.156 1.892
191 HB2 CYS 23 HB2 CYS 23 6.203 5.621 -0.012
192 HB3 CYS 23 HB1 CYS 23 7.271 4.948 1.208
193 H GLY 24 HN GLY 24 3.658 5.391 2.963
194 HA2 GLY 24 HA2 GLY 24 1.585 6.610 3.149
195 HA3 GLY 24 HA1 GLY 24 1.991 7.425 1.646
196 H VAL 25 HN VAL 25 2.778 4.154 1.506
197 HA VAL 25 HA VAL 25 0.824 3.812 -0.564
198 HB VAL 25 HB VAL 25 3.241 2.931 -0.532
199 HG11 VAL 25 HG11 VAL 25 1.884 0.758 1.054
200 HG12 VAL 25 HG12 VAL 25 3.271 1.744 1.533
201 HG13 VAL 25 HG13 VAL 25 3.433 0.572 0.229
202 HG21 VAL 25 HG21 VAL 25 0.994 1.131 -1.418
203 HG22 VAL 25 HG22 VAL 25 2.659 1.063 -1.995
204 HG23 VAL 25 HG23 VAL 25 1.669 2.485 -2.325
205 H ARG 26 HN ARG 26 -0.624 2.025 -0.730
206 HA ARG 26 HA ARG 26 -1.670 1.083 1.855
207 HB2 ARG 26 HB2 ARG 26 -3.025 1.910 -0.689
208 HB3 ARG 26 HB1 ARG 26 -3.801 0.739 0.364
209 HG2 ARG 26 HG2 ARG 26 -2.867 3.411 1.357
210 HG3 ARG 26 HG1 ARG 26 -4.468 3.165 0.654
211 HD2 ARG 26 HD2 ARG 26 -4.869 1.384 2.337
212 HD3 ARG 26 HD1 ARG 26 -3.318 1.778 3.072
213 HE ARG 26 HE ARG 26 -4.514 4.148 3.156
214 HH11 ARG 26 HH11 ARG 26 -5.806 0.978 3.898
215 HH12 ARG 26 HH12 ARG 26 -6.843 1.562 5.165
216 HH21 ARG 26 HH21 ARG 26 -5.881 4.912 4.819
217 HH22 ARG 26 HH22 ARG 26 -6.884 3.794 5.686
218 H TYR 27 HN TYR 27 -1.525 -1.035 2.194
219 HA TYR 27 HA TYR 27 -1.401 -2.796 -0.155
220 HB2 TYR 27 HB2 TYR 27 -0.098 -4.284 1.706
221 HB3 TYR 27 HB1 TYR 27 0.690 -3.312 0.478
222 HD1 TYR 27 HD1 TYR 27 -0.837 -2.694 3.822
223 HD2 TYR 27 HD2 TYR 27 2.499 -2.141 1.256
224 HE1 TYR 27 HE1 TYR 27 0.308 -1.405 5.581
225 HE2 TYR 27 HE2 TYR 27 3.653 -0.874 3.013
226 HH TYR 27 HH TYR 27 2.467 -0.764 6.248
227 H CYS 28 HN CYS 28 -2.200 -4.874 0.114
228 HA CYS 28 HA CYS 28 -4.651 -4.960 1.514
229 HB2 CYS 28 HB2 CYS 28 -4.825 -7.242 0.586
230 HB3 CYS 28 HB1 CYS 28 -4.374 -6.067 -0.640
231 H SER 29 HN SER 29 -1.438 -6.171 2.168
232 HA SER 29 HA SER 29 -2.027 -6.826 4.860
233 HB2 SER 29 HB2 SER 29 -1.662 -9.152 2.944
234 HB3 SER 29 HB1 SER 29 -1.550 -9.289 4.697
235 HG SER 29 HG SER 29 -3.845 -8.064 3.776
236 H LEU 30 HN LEU 30 -0.046 -8.481 5.574
237 HA LEU 30 HA LEU 30 2.260 -6.895 5.342
238 HB2 LEU 30 HB2 LEU 30 1.690 -9.591 6.482
239 HB3 LEU 30 HB1 LEU 30 3.352 -9.049 6.337
240 HG LEU 30 HG LEU 30 1.214 -7.512 7.812
241 HD11 LEU 30 HD11 LEU 30 2.320 -8.339 9.850
242 HD12 LEU 30 HD12 LEU 30 3.310 -9.405 8.858
243 HD13 LEU 30 HD13 LEU 30 1.565 -9.631 8.922
244 HD21 LEU 30 HD21 LEU 30 3.117 -6.193 6.976
245 HD22 LEU 30 HD22 LEU 30 4.222 -7.277 7.817
246 HD23 LEU 30 HD23 LEU 30 3.090 -6.285 8.736
247 H LYS 31 HN LYS 31 1.122 -9.552 3.429
248 HA LYS 31 HA LYS 31 3.482 -10.488 2.315
249 HB2 LYS 31 HB2 LYS 31 0.765 -10.173 1.034
250 HB3 LYS 31 HB1 LYS 31 2.090 -11.083 0.323
251 HG2 LYS 31 HG2 LYS 31 0.768 -11.672 2.957
252 HG3 LYS 31 HG1 LYS 31 0.506 -12.545 1.446
253 HD2 LYS 31 HD2 LYS 31 2.894 -13.155 1.417
254 HD3 LYS 31 HD1 LYS 31 3.107 -12.336 2.964
255 HE2 LYS 31 HE2 LYS 31 1.537 -13.873 4.010
256 HE3 LYS 31 HE1 LYS 31 1.271 -14.673 2.462
257 HZ1 LYS 31 HZ1 LYS 31 2.828 -15.923 3.771
258 HZ2 LYS 31 HZ2 LYS 31 3.826 -14.574 3.970
259 HZ3 LYS 31 HZ3 LYS 31 3.633 -15.264 2.438
260 H CYS 32 HN CYS 32 1.536 -7.705 1.380
261 HA CYS 32 HA CYS 32 3.477 -6.991 -0.662
262 HB2 CYS 32 HB2 CYS 32 0.854 -5.734 0.150
263 HB3 CYS 32 HB1 CYS 32 1.893 -5.104 -1.124
264 H TYR 33 HN TYR 33 2.650 -6.193 2.586
265 HA TYR 33 HA TYR 33 3.854 -3.667 2.799
266 HB2 TYR 33 HB2 TYR 33 2.417 -4.861 4.547
267 HB3 TYR 33 HB1 TYR 33 3.853 -5.780 4.972
268 HD1 TYR 33 HD1 TYR 33 5.406 -2.920 4.258
269 HD2 TYR 33 HD2 TYR 33 2.507 -4.302 7.042
270 HE1 TYR 33 HE1 TYR 33 6.041 -1.114 5.809
271 HE2 TYR 33 HE2 TYR 33 3.151 -2.524 8.610
272 HH TYR 33 HH TYR 33 5.301 0.053 7.679
273 H LYS 34 HN LYS 34 5.192 -6.853 3.724
274 HA LYS 34 HA LYS 34 7.866 -5.743 3.696
275 HB2 LYS 34 HB2 LYS 34 6.820 -8.478 4.416
276 HB3 LYS 34 HB1 LYS 34 8.527 -8.050 4.441
277 HG2 LYS 34 HG2 LYS 34 7.943 -6.214 6.040
278 HG3 LYS 34 HG1 LYS 34 6.321 -6.899 6.126
279 HD2 LYS 34 HD2 LYS 34 7.149 -8.948 7.025
280 HD3 LYS 34 HD1 LYS 34 8.819 -8.480 6.712
281 HE2 LYS 34 HE2 LYS 34 8.275 -8.248 9.077
282 HE3 LYS 34 HE1 LYS 34 8.634 -6.683 8.352
283 HZ1 LYS 34 HZ1 LYS 34 5.895 -7.731 8.808
284 HZ2 LYS 34 HZ2 LYS 34 6.307 -6.180 8.267
285 HZ3 LYS 34 HZ3 LYS 34 6.693 -6.657 9.840
286 H ASP 35 HN ASP 35 6.959 -5.519 1.228
287 HA ASP 35 HA ASP 35 8.496 -7.547 -0.251
288 HB2 ASP 35 HB2 ASP 35 6.104 -7.507 -0.888
289 HB3 ASP 35 HB1 ASP 35 6.232 -5.793 -1.255
290 H ALA 36 HN ALA 36 10.089 -6.759 -1.643
291 HA ALA 36 HA ALA 36 10.563 -3.858 -1.452
292 HB1 ALA 36 HB1 ALA 36 12.954 -4.308 -1.525
293 HB2 ALA 36 HB2 ALA 36 12.639 -6.040 -1.638
294 HB3 ALA 36 HB3 ALA 36 12.204 -5.157 -0.174
295 H ALA 37 HN ALA 37 9.345 -5.883 -3.514
296 HA ALA 37 HA ALA 37 10.978 -5.166 -5.834
297 HB1 ALA 37 HB1 ALA 37 9.538 -6.766 -7.048
298 HB2 ALA 37 HB2 ALA 37 8.645 -7.059 -5.553
299 HB3 ALA 37 HB3 ALA 37 10.349 -7.498 -5.664
300 H LYS 38 HN LYS 38 7.662 -4.935 -4.614
301 HA LYS 38 HA LYS 38 7.136 -2.876 -6.657
302 HB2 LYS 38 HB2 LYS 38 5.215 -4.609 -5.108
303 HB3 LYS 38 HB1 LYS 38 4.732 -3.327 -6.210
304 HG2 LYS 38 HG2 LYS 38 5.804 -4.506 -8.058
305 HG3 LYS 38 HG1 LYS 38 6.298 -5.789 -6.951
306 HD2 LYS 38 HD2 LYS 38 3.940 -6.230 -6.442
307 HD3 LYS 38 HD1 LYS 38 3.465 -4.979 -7.587
308 HE2 LYS 38 HE2 LYS 38 3.276 -7.183 -8.594
309 HE3 LYS 38 HE1 LYS 38 4.526 -6.236 -9.398
310 HZ1 LYS 38 HZ1 LYS 38 5.051 -8.261 -7.295
311 HZ2 LYS 38 HZ2 LYS 38 6.205 -7.437 -8.214
312 HZ3 LYS 38 HZ3 LYS 38 5.180 -8.554 -8.953
313 H HIS 39 HN HIS 39 7.203 -3.548 -3.245
314 HA HIS 39 HA HIS 39 6.142 -0.919 -2.583
315 HB2 HIS 39 HB2 HIS 39 5.558 -2.862 -1.163
316 HB3 HIS 39 HB1 HIS 39 7.257 -3.081 -0.778
317 HD1 HIS 39 HD1 HIS 39 6.785 -2.694 1.771
318 HD2 HIS 39 HD2 HIS 39 5.800 0.515 -0.688
319 HE1 HIS 39 HE1 HIS 39 6.436 -0.706 3.292
320 H VAL 40 HN VAL 40 7.544 0.642 -3.135
321 HA VAL 40 HA VAL 40 10.392 0.112 -2.896
322 HB VAL 40 HB VAL 40 9.026 2.451 -4.221
323 HG11 VAL 40 HG11 VAL 40 11.180 2.769 -5.345
324 HG12 VAL 40 HG12 VAL 40 11.862 1.440 -4.408
325 HG13 VAL 40 HG13 VAL 40 11.335 2.913 -3.593
326 HG21 VAL 40 HG21 VAL 40 10.080 -0.108 -5.423
327 HG22 VAL 40 HG22 VAL 40 9.475 1.277 -6.331
328 HG23 VAL 40 HG23 VAL 40 8.385 0.360 -5.291
329 H HIS 41 HN HIS 41 11.441 0.674 -1.222
330 HA HIS 41 HA HIS 41 10.875 3.271 0.022
331 HB2 HIS 41 HB2 HIS 41 11.361 0.619 1.264
332 HB3 HIS 41 HB1 HIS 41 12.129 2.004 2.032
333 HD1 HIS 41 HD1 HIS 41 10.141 0.775 3.794
334 HD2 HIS 41 HD2 HIS 41 9.002 3.466 0.839
335 HE1 HIS 41 HE1 HIS 41 7.986 1.839 4.587
336 H LYS 42 HN LYS 42 13.527 0.912 0.341
337 HA LYS 42 HA LYS 42 15.319 2.503 -1.227
338 HB2 LYS 42 HB2 LYS 42 16.873 3.121 0.536
339 HB3 LYS 42 HB1 LYS 42 15.293 3.824 0.849
340 HG2 LYS 42 HG2 LYS 42 14.844 2.020 2.469
341 HG3 LYS 42 HG1 LYS 42 16.474 1.401 2.194
342 HD2 LYS 42 HD2 LYS 42 17.356 3.630 2.886
343 HD3 LYS 42 HD1 LYS 42 15.710 4.091 3.320
344 HE2 LYS 42 HE2 LYS 42 16.881 3.371 5.297
345 HE3 LYS 42 HE1 LYS 42 15.635 2.190 4.897
346 HZ1 LYS 42 HZ1 LYS 42 18.513 1.920 4.223
347 HZ2 LYS 42 HZ2 LYS 42 17.311 0.772 3.925
348 HZ3 LYS 42 HZ3 LYS 42 17.742 1.150 5.512
349 H GLU 43 HN GLU 43 14.303 -0.290 -0.779
350 HA GLU 43 HA GLU 43 16.932 -1.605 -0.694
351 HB2 GLU 43 HB2 GLU 43 14.335 -2.701 0.400
352 HB3 GLU 43 HB1 GLU 43 15.850 -3.585 0.310
353 HG2 GLU 43 HG2 GLU 43 16.875 -2.020 1.859
354 HG3 GLU 43 HG1 GLU 43 15.375 -1.095 1.931
355 H SER 44 HN SER 44 17.382 -2.779 -2.430
356 HA SER 44 HA SER 44 17.216 -3.827 -4.430
357 HB2 SER 44 HB2 SER 44 15.861 -5.423 -3.088
358 HB3 SER 44 HB1 SER 44 14.411 -4.514 -3.509
359 HG SER 44 HG SER 44 14.868 -5.001 -5.718
360 H GLU 45 HN GLU 45 16.587 -1.039 -4.293
361 HA GLU 45 HA GLU 45 14.348 -0.672 -6.115
362 HB2 GLU 45 HB2 GLU 45 15.147 1.830 -5.770
363 HB3 GLU 45 HB1 GLU 45 14.155 1.001 -4.582
364 HG2 GLU 45 HG2 GLU 45 15.930 2.227 -3.499
365 HG3 GLU 45 HG1 GLU 45 16.147 0.495 -3.264
366 H GLN 46 HN GLN 46 16.663 -2.018 -7.075
367 HA GLN 46 HA GLN 46 17.298 -0.226 -9.309
368 HB2 GLN 46 HB2 GLN 46 19.211 -2.096 -7.897
369 HB3 GLN 46 HB1 GLN 46 19.545 -1.340 -9.447
370 HG2 GLN 46 HG2 GLN 46 19.382 0.865 -8.399
371 HG3 GLN 46 HG1 GLN 46 19.066 0.094 -6.845
372 HE21 GLN 46 HE21 GLN 46 20.735 -0.968 -5.784
373 HE22 GLN 46 HE22 GLN 46 22.393 -0.739 -6.217
Start of MODEL 16
1 H1 GLY -2 HT1 GLY -2 -15.353 -2.397 -13.525
2 H2 GLY -2 HT2 GLY -2 -13.791 -2.902 -13.129
3 H3 GLY -2 HT3 GLY -2 -14.323 -2.977 -14.734
4 HA2 GLY -2 HA1 GLY -2 -12.840 -1.104 -14.420
5 HA3 GLY -2 HA2 GLY -2 -14.464 -0.583 -14.850
6 HA PRO -1 HA PRO -1 -12.818 1.487 -10.866
7 HB2 PRO -1 HB2 PRO -1 -13.370 3.919 -12.462
8 HB3 PRO -1 HB1 PRO -1 -11.982 3.538 -11.437
9 HG2 PRO -1 HG2 PRO -1 -11.767 3.526 -14.097
10 HG3 PRO -1 HG1 PRO -1 -10.919 2.330 -13.103
11 HD2 PRO -1 HD2 PRO -1 -13.425 2.024 -14.709
12 HD3 PRO -1 HD1 PRO -1 -12.067 0.897 -14.513
13 H HIS 0 HN HIS 0 -14.384 1.578 -9.406
14 HA HIS 0 HA HIS 0 -17.107 2.171 -10.255
15 HB2 HIS 0 HB2 HIS 0 -16.052 1.191 -7.593
16 HB3 HIS 0 HB1 HIS 0 -17.749 1.349 -8.024
17 HD1 HIS 0 HD1 HIS 0 -15.590 -1.236 -7.490
18 HD2 HIS 0 HD2 HIS 0 -17.922 -0.242 -10.782
19 HE1 HIS 0 HE1 HIS 0 -15.877 -3.370 -8.781
20 HE2 HIS 0 HE2 HIS 0 -17.171 -2.718 -10.837
21 H MET 1 HN MET 1 -18.156 4.003 -9.779
22 HA MET 1 HA MET 1 -16.676 6.099 -8.433
23 HB2 MET 1 HB2 MET 1 -19.320 6.106 -9.886
24 HB3 MET 1 HB1 MET 1 -18.632 7.527 -9.116
25 HG2 MET 1 HG2 MET 1 -17.019 6.034 -11.122
26 HG3 MET 1 HG1 MET 1 -18.317 7.089 -11.667
27 HE1 MET 1 HE1 MET 1 -14.508 8.474 -9.447
28 HE2 MET 1 HE2 MET 1 -14.973 6.797 -9.741
29 HE3 MET 1 HE3 MET 1 -15.817 7.749 -8.519
30 H VAL 2 HN VAL 2 -17.724 7.462 -6.813
31 HA VAL 2 HA VAL 2 -18.509 7.685 -4.702
32 HB VAL 2 HB VAL 2 -20.674 5.729 -5.505
33 HG11 VAL 2 HG11 VAL 2 -20.637 7.929 -3.438
34 HG12 VAL 2 HG12 VAL 2 -20.581 6.197 -3.109
35 HG13 VAL 2 HG13 VAL 2 -22.021 6.910 -3.834
36 HG21 VAL 2 HG21 VAL 2 -20.538 7.515 -7.152
37 HG22 VAL 2 HG22 VAL 2 -20.583 8.724 -5.870
38 HG23 VAL 2 HG23 VAL 2 -21.986 7.699 -6.163
39 H SER 3 HN SER 3 -16.423 6.341 -4.554
40 HA SER 3 HA SER 3 -16.991 3.941 -2.950
41 HB2 SER 3 HB2 SER 3 -14.579 4.395 -4.727
42 HB3 SER 3 HB1 SER 3 -14.939 2.940 -3.799
43 HG SER 3 HG SER 3 -15.874 3.730 -6.242
44 H SER 4 HN SER 4 -16.040 3.877 -0.971
45 HA SER 4 HA SER 4 -14.129 6.030 -0.344
46 HB2 SER 4 HB2 SER 4 -16.185 4.757 1.477
47 HB3 SER 4 HB1 SER 4 -15.027 6.002 1.951
48 HG SER 4 HG SER 4 -16.005 7.409 0.475
49 H ALA 5 HN ALA 5 -13.987 3.033 -1.140
50 HA ALA 5 HA ALA 5 -12.184 2.230 1.042
51 HB1 ALA 5 HB1 ALA 5 -13.695 0.463 -0.881
52 HB2 ALA 5 HB2 ALA 5 -14.085 0.713 0.821
53 HB3 ALA 5 HB3 ALA 5 -12.580 -0.089 0.369
54 H VAL 6 HN VAL 6 -10.244 1.365 0.572
55 HA VAL 6 HA VAL 6 -9.240 2.204 -2.047
56 HB VAL 6 HB VAL 6 -8.480 3.371 0.099
57 HG11 VAL 6 HG11 VAL 6 -6.641 2.320 1.316
58 HG12 VAL 6 HG12 VAL 6 -6.874 0.839 0.386
59 HG13 VAL 6 HG13 VAL 6 -8.139 1.403 1.478
60 HG21 VAL 6 HG21 VAL 6 -6.211 3.619 -0.741
61 HG22 VAL 6 HG22 VAL 6 -7.411 3.659 -2.030
62 HG23 VAL 6 HG23 VAL 6 -6.445 2.208 -1.772
63 H LYS 7 HN LYS 7 -7.695 0.900 -3.094
64 HA LYS 7 HA LYS 7 -7.782 -1.916 -2.254
65 HB2 LYS 7 HB2 LYS 7 -7.306 -0.769 -5.013
66 HB3 LYS 7 HB1 LYS 7 -7.425 -2.475 -4.611
67 HG2 LYS 7 HG2 LYS 7 -9.638 -0.461 -4.308
68 HG3 LYS 7 HG1 LYS 7 -9.473 -1.625 -5.624
69 HD2 LYS 7 HD2 LYS 7 -9.582 -3.458 -3.970
70 HD3 LYS 7 HD1 LYS 7 -9.847 -2.261 -2.700
71 HE2 LYS 7 HE2 LYS 7 -11.894 -1.541 -3.771
72 HE3 LYS 7 HE1 LYS 7 -11.608 -2.657 -5.104
73 HZ1 LYS 7 HZ1 LYS 7 -13.213 -3.505 -3.474
74 HZ2 LYS 7 HZ2 LYS 7 -12.014 -3.477 -2.275
75 HZ3 LYS 7 HZ3 LYS 7 -11.855 -4.501 -3.616
76 H CYS 8 HN CYS 8 -5.851 -3.205 -2.803
77 HA CYS 8 HA CYS 8 -3.538 -2.019 -1.700
78 HB2 CYS 8 HB2 CYS 8 -4.102 -4.430 -1.588
79 HB3 CYS 8 HB1 CYS 8 -3.759 -4.570 -3.302
80 H GLY 9 HN GLY 9 -2.200 -0.644 -2.665
81 HA2 GLY 9 HA2 GLY 9 -2.284 -0.224 -5.499
82 HA3 GLY 9 HA1 GLY 9 -1.251 0.610 -4.347
83 H ILE 10 HN ILE 10 -0.731 -2.565 -3.746
84 HA ILE 10 HA ILE 10 1.751 -2.412 -5.280
85 HB ILE 10 HB ILE 10 1.093 -4.224 -2.955
86 HG12 ILE 10 HG12 ILE 10 2.425 -1.519 -3.098
87 HG13 ILE 10 HG11 ILE 10 1.034 -1.992 -2.132
88 HG21 ILE 10 HG21 ILE 10 2.866 -5.089 -4.393
89 HG22 ILE 10 HG22 ILE 10 3.518 -4.564 -2.840
90 HG23 ILE 10 HG23 ILE 10 3.725 -3.552 -4.270
91 HD11 ILE 10 HD11 ILE 10 3.107 -1.682 -0.833
92 HD12 ILE 10 HD12 ILE 10 3.813 -3.036 -1.715
93 HD13 ILE 10 HD13 ILE 10 2.410 -3.295 -0.683
94 H CYS 11 HN CYS 11 -0.970 -4.595 -4.626
95 HA CYS 11 HA CYS 11 -0.018 -6.216 -6.890
96 HB2 CYS 11 HB2 CYS 11 -0.959 -8.184 -5.902
97 HB3 CYS 11 HB1 CYS 11 0.035 -7.385 -4.691
98 H ARG 12 HN ARG 12 -2.494 -4.277 -5.670
99 HA ARG 12 HA ARG 12 -4.466 -3.547 -6.474
100 HB2 ARG 12 HB2 ARG 12 -3.466 -4.791 -9.040
101 HB3 ARG 12 HB1 ARG 12 -4.861 -3.729 -8.921
102 HG2 ARG 12 HG2 ARG 12 -2.040 -2.971 -8.188
103 HG3 ARG 12 HG1 ARG 12 -2.843 -2.569 -9.706
104 HD2 ARG 12 HD2 ARG 12 -4.510 -1.274 -8.513
105 HD3 ARG 12 HD1 ARG 12 -3.793 -1.731 -6.970
106 HE ARG 12 HE ARG 12 -1.760 -0.541 -8.371
107 HH11 ARG 12 HH11 ARG 12 -4.967 0.408 -7.338
108 HH12 ARG 12 HH12 ARG 12 -4.559 2.086 -7.178
109 HH21 ARG 12 HH21 ARG 12 -1.216 1.676 -8.146
110 HH22 ARG 12 HH22 ARG 12 -2.436 2.808 -7.650
111 H GLY 13 HN GLY 13 -4.359 -6.131 -5.203
112 HA2 GLY 13 HA2 GLY 13 -6.343 -7.719 -6.624
113 HA3 GLY 13 HA1 GLY 13 -5.507 -8.173 -5.148
114 H VAL 14 HN VAL 14 -6.178 -7.140 -3.149
115 HA VAL 14 HA VAL 14 -9.066 -6.593 -3.242
116 HB VAL 14 HB VAL 14 -9.257 -7.500 -1.015
117 HG11 VAL 14 HG11 VAL 14 -7.630 -9.305 -2.793
118 HG12 VAL 14 HG12 VAL 14 -9.382 -9.097 -2.826
119 HG13 VAL 14 HG13 VAL 14 -8.607 -9.833 -1.424
120 HG21 VAL 14 HG21 VAL 14 -7.198 -6.788 -0.019
121 HG22 VAL 14 HG22 VAL 14 -6.265 -7.802 -1.115
122 HG23 VAL 14 HG23 VAL 14 -7.297 -8.545 0.106
123 H ASP 15 HN ASP 15 -9.465 -5.650 -0.720
124 HA ASP 15 HA ASP 15 -8.861 -2.928 -0.979
125 HB2 ASP 15 HB2 ASP 15 -10.017 -4.621 1.193
126 HB3 ASP 15 HB1 ASP 15 -9.567 -2.958 1.554
127 H GLY 16 HN GLY 16 -7.348 -1.620 -0.156
128 HA2 GLY 16 HA2 GLY 16 -4.986 -2.801 1.043
129 HA3 GLY 16 HA1 GLY 16 -5.205 -1.112 0.592
130 H LYS 17 HN LYS 17 -6.340 -3.527 2.907
131 HA LYS 17 HA LYS 17 -7.487 -1.730 4.733
132 HB2 LYS 17 HB2 LYS 17 -7.202 -3.674 6.360
133 HB3 LYS 17 HB1 LYS 17 -8.162 -3.963 4.916
134 HG2 LYS 17 HG2 LYS 17 -6.456 -5.207 3.898
135 HG3 LYS 17 HG1 LYS 17 -5.247 -4.660 5.055
136 HD2 LYS 17 HD2 LYS 17 -5.800 -6.886 5.647
137 HD3 LYS 17 HD1 LYS 17 -6.589 -5.841 6.830
138 HE2 LYS 17 HE2 LYS 17 -8.691 -6.063 5.677
139 HE3 LYS 17 HE1 LYS 17 -7.932 -7.009 4.401
140 HZ1 LYS 17 HZ1 LYS 17 -7.433 -8.724 6.026
141 HZ2 LYS 17 HZ2 LYS 17 -9.092 -8.417 5.979
142 HZ3 LYS 17 HZ3 LYS 17 -8.159 -7.811 7.249
143 H TYR 18 HN TYR 18 -4.194 -2.709 4.260
144 HA TYR 18 HA TYR 18 -3.406 -1.379 6.754
145 HB2 TYR 18 HB2 TYR 18 -2.035 -3.400 4.998
146 HB3 TYR 18 HB1 TYR 18 -1.128 -2.447 6.163
147 HD1 TYR 18 HD1 TYR 18 -4.512 -3.935 6.548
148 HD2 TYR 18 HD2 TYR 18 -0.431 -4.047 7.722
149 HE1 TYR 18 HE1 TYR 18 -5.063 -5.612 8.248
150 HE2 TYR 18 HE2 TYR 18 -0.970 -5.716 9.447
151 HH TYR 18 HH TYR 18 -2.902 -6.483 10.734
152 H LYS 19 HN LYS 19 -1.593 0.124 6.680
153 HA LYS 19 HA LYS 19 -1.193 1.370 4.059
154 HB2 LYS 19 HB2 LYS 19 -3.134 2.415 5.353
155 HB3 LYS 19 HB1 LYS 19 -1.937 2.979 6.502
156 HG2 LYS 19 HG2 LYS 19 -1.715 3.657 3.596
157 HG3 LYS 19 HG1 LYS 19 -2.762 4.576 4.665
158 HD2 LYS 19 HD2 LYS 19 -0.583 4.688 6.144
159 HD3 LYS 19 HD1 LYS 19 0.204 4.402 4.590
160 HE2 LYS 19 HE2 LYS 19 -1.628 6.674 5.339
161 HE3 LYS 19 HE1 LYS 19 0.082 6.762 4.931
162 HZ1 LYS 19 HZ1 LYS 19 -0.547 5.952 2.670
163 HZ2 LYS 19 HZ2 LYS 19 -1.149 7.480 3.058
164 HZ3 LYS 19 HZ3 LYS 19 -2.172 6.137 3.107
165 H CYS 20 HN CYS 20 0.736 2.456 3.828
166 HA CYS 20 HA CYS 20 2.712 1.910 5.929
167 HB2 CYS 20 HB2 CYS 20 3.115 1.114 3.568
168 HB3 CYS 20 HB1 CYS 20 3.253 2.804 3.092
169 HA PRO 21 HA PRO 21 2.143 6.286 6.819
170 HB2 PRO 21 HB2 PRO 21 3.720 6.297 9.042
171 HB3 PRO 21 HB1 PRO 21 2.046 5.729 9.043
172 HG2 PRO 21 HG2 PRO 21 4.583 4.145 8.878
173 HG3 PRO 21 HG1 PRO 21 3.130 3.832 9.847
174 HD2 PRO 21 HD2 PRO 21 3.605 2.526 7.539
175 HD3 PRO 21 HD1 PRO 21 1.962 2.966 8.044
176 H LYS 22 HN LYS 22 4.938 4.597 5.927
177 HA LYS 22 HA LYS 22 6.761 6.826 6.173
178 HB2 LYS 22 HB2 LYS 22 7.117 4.168 4.786
179 HB3 LYS 22 HB1 LYS 22 8.392 5.323 5.145
180 HG2 LYS 22 HG2 LYS 22 6.698 3.995 7.238
181 HG3 LYS 22 HG1 LYS 22 8.258 3.375 6.698
182 HD2 LYS 22 HD2 LYS 22 7.812 6.114 7.887
183 HD3 LYS 22 HD1 LYS 22 8.396 4.711 8.784
184 HE2 LYS 22 HE2 LYS 22 10.324 4.567 7.264
185 HE3 LYS 22 HE1 LYS 22 9.750 6.002 6.418
186 HZ1 LYS 22 HZ1 LYS 22 11.466 6.548 8.010
187 HZ2 LYS 22 HZ2 LYS 22 10.558 5.879 9.269
188 HZ3 LYS 22 HZ3 LYS 22 10.001 7.258 8.466
189 H CYS 23 HN CYS 23 5.645 4.873 3.396
190 HA CYS 23 HA CYS 23 6.408 7.069 1.631
191 HB2 CYS 23 HB2 CYS 23 6.036 5.442 -0.208
192 HB3 CYS 23 HB1 CYS 23 7.221 4.888 0.967
193 H GLY 24 HN GLY 24 3.624 5.385 2.831
194 HA2 GLY 24 HA2 GLY 24 1.544 6.537 3.005
195 HA3 GLY 24 HA1 GLY 24 1.937 7.403 1.526
196 H VAL 25 HN VAL 25 2.725 4.115 1.410
197 HA VAL 25 HA VAL 25 0.818 3.773 -0.710
198 HB VAL 25 HB VAL 25 3.235 2.900 -0.654
199 HG11 VAL 25 HG11 VAL 25 3.256 1.745 1.434
200 HG12 VAL 25 HG12 VAL 25 3.437 0.553 0.147
201 HG13 VAL 25 HG13 VAL 25 1.882 0.746 0.960
202 HG21 VAL 25 HG21 VAL 25 1.690 2.411 -2.448
203 HG22 VAL 25 HG22 VAL 25 0.992 1.088 -1.515
204 HG23 VAL 25 HG23 VAL 25 2.662 0.988 -2.072
205 H ARG 26 HN ARG 26 -0.610 1.992 -0.887
206 HA ARG 26 HA ARG 26 -1.704 1.048 1.671
207 HB2 ARG 26 HB2 ARG 26 -3.007 1.689 -0.965
208 HB3 ARG 26 HB1 ARG 26 -3.792 0.639 0.205
209 HG2 ARG 26 HG2 ARG 26 -2.879 3.429 0.832
210 HG3 ARG 26 HG1 ARG 26 -4.504 3.029 0.273
211 HD2 ARG 26 HD2 ARG 26 -4.753 1.508 2.199
212 HD3 ARG 26 HD1 ARG 26 -3.162 2.006 2.770
213 HE ARG 26 HE ARG 26 -4.378 4.356 2.630
214 HH11 ARG 26 HH11 ARG 26 -5.565 1.299 3.861
215 HH12 ARG 26 HH12 ARG 26 -6.572 2.031 5.069
216 HH21 ARG 26 HH21 ARG 26 -5.699 5.323 4.234
217 HH22 ARG 26 HH22 ARG 26 -6.644 4.318 5.286
218 H TYR 27 HN TYR 27 -1.559 -1.063 2.056
219 HA TYR 27 HA TYR 27 -1.402 -2.862 -0.253
220 HB2 TYR 27 HB2 TYR 27 -0.061 -4.313 1.602
221 HB3 TYR 27 HB1 TYR 27 0.712 -3.331 0.373
222 HD1 TYR 27 HD1 TYR 27 -0.820 -2.716 3.720
223 HD2 TYR 27 HD2 TYR 27 2.514 -2.149 1.155
224 HE1 TYR 27 HE1 TYR 27 0.318 -1.420 5.481
225 HE2 TYR 27 HE2 TYR 27 3.660 -0.875 2.914
226 HH TYR 27 HH TYR 27 2.489 -0.794 6.149
227 H CYS 28 HN CYS 28 -2.296 -4.833 -0.045
228 HA CYS 28 HA CYS 28 -4.702 -4.933 1.385
229 HB2 CYS 28 HB2 CYS 28 -4.885 -7.215 0.467
230 HB3 CYS 28 HB1 CYS 28 -4.419 -6.050 -0.763
231 H SER 29 HN SER 29 -1.499 -6.149 2.078
232 HA SER 29 HA SER 29 -2.146 -6.849 4.745
233 HB2 SER 29 HB2 SER 29 -1.752 -9.142 2.795
234 HB3 SER 29 HB1 SER 29 -1.713 -9.313 4.545
235 HG SER 29 HG SER 29 -3.954 -8.016 3.741
236 H LEU 30 HN LEU 30 -0.185 -8.654 5.372
237 HA LEU 30 HA LEU 30 2.126 -7.032 5.374
238 HB2 LEU 30 HB2 LEU 30 1.421 -8.795 7.071
239 HB3 LEU 30 HB1 LEU 30 2.046 -9.984 5.954
240 HG LEU 30 HG LEU 30 4.281 -8.889 6.107
241 HD11 LEU 30 HD11 LEU 30 2.957 -7.313 8.310
242 HD12 LEU 30 HD12 LEU 30 3.575 -6.668 6.790
243 HD13 LEU 30 HD13 LEU 30 4.686 -7.352 7.973
244 HD21 LEU 30 HD21 LEU 30 3.759 -10.867 7.426
245 HD22 LEU 30 HD22 LEU 30 3.085 -9.854 8.702
246 HD23 LEU 30 HD23 LEU 30 4.807 -9.774 8.329
247 H LYS 31 HN LYS 31 1.040 -9.549 3.263
248 HA LYS 31 HA LYS 31 3.403 -10.515 2.213
249 HB2 LYS 31 HB2 LYS 31 0.801 -10.086 0.748
250 HB3 LYS 31 HB1 LYS 31 2.111 -11.143 0.228
251 HG2 LYS 31 HG2 LYS 31 0.964 -12.731 1.300
252 HG3 LYS 31 HG1 LYS 31 1.692 -12.012 2.740
253 HD2 LYS 31 HD2 LYS 31 -0.268 -10.595 3.023
254 HD3 LYS 31 HD1 LYS 31 -1.017 -11.353 1.617
255 HE2 LYS 31 HE2 LYS 31 -0.159 -12.780 4.128
256 HE3 LYS 31 HE1 LYS 31 -1.814 -12.304 3.749
257 HZ1 LYS 31 HZ1 LYS 31 -1.487 -14.605 3.203
258 HZ2 LYS 31 HZ2 LYS 31 -0.146 -14.244 2.241
259 HZ3 LYS 31 HZ3 LYS 31 -1.688 -13.734 1.766
260 H CYS 32 HN CYS 32 1.476 -7.788 1.185
261 HA CYS 32 HA CYS 32 3.454 -6.973 -0.769
262 HB2 CYS 32 HB2 CYS 32 0.817 -5.741 0.048
263 HB3 CYS 32 HB1 CYS 32 1.848 -5.130 -1.242
264 H TYR 33 HN TYR 33 2.561 -6.254 2.481
265 HA TYR 33 HA TYR 33 3.717 -3.721 2.784
266 HB2 TYR 33 HB2 TYR 33 2.280 -4.982 4.465
267 HB3 TYR 33 HB1 TYR 33 3.719 -5.906 4.874
268 HD1 TYR 33 HD1 TYR 33 5.225 -2.977 4.269
269 HD2 TYR 33 HD2 TYR 33 2.368 -4.555 6.997
270 HE1 TYR 33 HE1 TYR 33 5.822 -1.229 5.899
271 HE2 TYR 33 HE2 TYR 33 2.972 -2.830 8.636
272 HH TYR 33 HH TYR 33 4.992 -0.141 7.826
273 H LYS 34 HN LYS 34 5.107 -6.881 3.681
274 HA LYS 34 HA LYS 34 7.753 -5.713 3.779
275 HB2 LYS 34 HB2 LYS 34 6.760 -8.510 4.333
276 HB3 LYS 34 HB1 LYS 34 8.438 -8.010 4.495
277 HG2 LYS 34 HG2 LYS 34 7.702 -6.306 6.152
278 HG3 LYS 34 HG1 LYS 34 6.081 -6.994 6.061
279 HD2 LYS 34 HD2 LYS 34 6.807 -9.075 6.932
280 HD3 LYS 34 HD1 LYS 34 8.505 -8.639 6.742
281 HE2 LYS 34 HE2 LYS 34 6.586 -7.239 8.597
282 HE3 LYS 34 HE1 LYS 34 7.682 -8.528 9.090
283 HZ1 LYS 34 HZ1 LYS 34 8.653 -6.407 9.586
284 HZ2 LYS 34 HZ2 LYS 34 8.456 -5.879 7.991
285 HZ3 LYS 34 HZ3 LYS 34 9.540 -7.127 8.339
286 H ASP 35 HN ASP 35 6.935 -5.420 1.289
287 HA ASP 35 HA ASP 35 8.404 -7.466 -0.219
288 HB2 ASP 35 HB2 ASP 35 6.086 -7.209 -0.969
289 HB3 ASP 35 HB1 ASP 35 6.315 -5.476 -1.153
290 H ALA 36 HN ALA 36 9.970 -6.734 -1.699
291 HA ALA 36 HA ALA 36 10.769 -3.916 -1.418
292 HB1 ALA 36 HB1 ALA 36 12.185 -5.259 0.041
293 HB2 ALA 36 HB2 ALA 36 13.118 -4.614 -1.310
294 HB3 ALA 36 HB3 ALA 36 12.612 -6.304 -1.314
295 H ALA 37 HN ALA 37 9.455 -5.778 -3.485
296 HA ALA 37 HA ALA 37 11.317 -5.324 -5.719
297 HB1 ALA 37 HB1 ALA 37 9.897 -6.917 -6.957
298 HB2 ALA 37 HB2 ALA 37 8.879 -7.095 -5.526
299 HB3 ALA 37 HB3 ALA 37 10.561 -7.624 -5.483
300 H LYS 38 HN LYS 38 7.983 -4.925 -4.666
301 HA LYS 38 HA LYS 38 7.594 -2.857 -6.727
302 HB2 LYS 38 HB2 LYS 38 5.546 -4.384 -5.113
303 HB3 LYS 38 HB1 LYS 38 5.184 -3.158 -6.318
304 HG2 LYS 38 HG2 LYS 38 6.143 -4.549 -8.059
305 HG3 LYS 38 HG1 LYS 38 6.579 -5.770 -6.861
306 HD2 LYS 38 HD2 LYS 38 4.200 -6.014 -6.291
307 HD3 LYS 38 HD1 LYS 38 3.793 -4.857 -7.556
308 HE2 LYS 38 HE2 LYS 38 5.178 -7.505 -7.959
309 HE3 LYS 38 HE1 LYS 38 3.483 -7.170 -8.303
310 HZ1 LYS 38 HZ1 LYS 38 4.773 -7.068 -10.312
311 HZ2 LYS 38 HZ2 LYS 38 5.824 -5.928 -9.642
312 HZ3 LYS 38 HZ3 LYS 38 4.213 -5.516 -9.941
313 H HIS 39 HN HIS 39 7.412 -3.605 -3.291
314 HA HIS 39 HA HIS 39 6.697 -0.847 -2.662
315 HB2 HIS 39 HB2 HIS 39 5.655 -2.719 -1.400
316 HB3 HIS 39 HB1 HIS 39 7.243 -3.176 -0.804
317 HD1 HIS 39 HD1 HIS 39 6.738 -2.702 1.679
318 HD2 HIS 39 HD2 HIS 39 6.053 0.549 -0.827
319 HE1 HIS 39 HE1 HIS 39 6.402 -0.701 3.180
320 H VAL 40 HN VAL 40 8.474 0.387 -3.163
321 HA VAL 40 HA VAL 40 10.985 -0.371 -1.841
322 HB VAL 40 HB VAL 40 10.734 1.274 -4.361
323 HG11 VAL 40 HG11 VAL 40 12.721 1.787 -3.054
324 HG12 VAL 40 HG12 VAL 40 13.156 0.935 -4.534
325 HG13 VAL 40 HG13 VAL 40 13.141 0.076 -2.994
326 HG21 VAL 40 HG21 VAL 40 11.611 -0.694 -5.542
327 HG22 VAL 40 HG22 VAL 40 10.046 -1.022 -4.797
328 HG23 VAL 40 HG23 VAL 40 11.523 -1.623 -4.045
329 H HIS 41 HN HIS 41 11.776 0.877 -0.409
330 HA HIS 41 HA HIS 41 10.561 3.483 0.017
331 HB2 HIS 41 HB2 HIS 41 11.864 1.468 1.732
332 HB3 HIS 41 HB1 HIS 41 12.147 3.152 2.173
333 HD1 HIS 41 HD1 HIS 41 10.452 1.425 4.073
334 HD2 HIS 41 HD2 HIS 41 8.899 3.654 0.942
335 HE1 HIS 41 HE1 HIS 41 8.115 2.106 4.771
336 H LYS 42 HN LYS 42 13.805 2.059 -0.237
337 HA LYS 42 HA LYS 42 14.853 4.767 -0.590
338 HB2 LYS 42 HB2 LYS 42 16.254 2.145 -0.063
339 HB3 LYS 42 HB1 LYS 42 17.096 3.653 -0.388
340 HG2 LYS 42 HG2 LYS 42 15.257 3.104 1.934
341 HG3 LYS 42 HG1 LYS 42 17.015 3.220 1.990
342 HD2 LYS 42 HD2 LYS 42 15.107 5.438 1.253
343 HD3 LYS 42 HD1 LYS 42 15.979 5.282 2.775
344 HE2 LYS 42 HE2 LYS 42 18.095 5.538 1.634
345 HE3 LYS 42 HE1 LYS 42 17.282 5.561 0.070
346 HZ1 LYS 42 HZ1 LYS 42 17.066 7.605 2.210
347 HZ2 LYS 42 HZ2 LYS 42 16.131 7.599 0.801
348 HZ3 LYS 42 HZ3 LYS 42 17.810 7.783 0.698
349 H GLU 43 HN GLU 43 13.834 4.895 -2.655
350 HA GLU 43 HA GLU 43 15.157 3.356 -4.774
351 HB2 GLU 43 HB2 GLU 43 12.694 3.250 -4.722
352 HB3 GLU 43 HB1 GLU 43 12.619 5.000 -4.854
353 HG2 GLU 43 HG2 GLU 43 13.566 4.927 -7.056
354 HG3 GLU 43 HG1 GLU 43 13.837 3.189 -6.921
355 H SER 44 HN SER 44 13.895 6.640 -4.219
356 HA SER 44 HA SER 44 16.393 7.771 -5.137
357 HB2 SER 44 HB2 SER 44 15.122 7.469 -7.233
358 HB3 SER 44 HB1 SER 44 13.786 8.395 -6.550
359 HG SER 44 HG SER 44 16.073 9.267 -7.714
360 H GLU 45 HN GLU 45 16.854 9.188 -3.608
361 HA GLU 45 HA GLU 45 14.662 10.797 -2.475
362 HB2 GLU 45 HB2 GLU 45 15.979 11.062 -0.462
363 HB3 GLU 45 HB1 GLU 45 15.818 9.354 -0.824
364 HG2 GLU 45 HG2 GLU 45 18.244 11.000 -1.500
365 HG3 GLU 45 HG1 GLU 45 18.071 10.048 -0.029
366 H GLN 46 HN GLN 46 16.730 11.002 -4.819
367 HA GLN 46 HA GLN 46 17.377 13.815 -4.308
368 HB2 GLN 46 HB2 GLN 46 19.401 12.469 -3.946
369 HB3 GLN 46 HB1 GLN 46 19.222 11.758 -5.542
370 HG2 GLN 46 HG2 GLN 46 19.683 13.837 -6.602
371 HG3 GLN 46 HG1 GLN 46 19.622 14.695 -5.064
372 HE21 GLN 46 HE21 GLN 46 21.464 12.514 -7.063
373 HE22 GLN 46 HE22 GLN 46 22.955 12.665 -6.195
Start of MODEL 17
1 H1 GLY -2 HT1 GLY -2 -23.636 6.118 4.786
2 H2 GLY -2 HT2 GLY -2 -23.889 7.134 6.109
3 H3 GLY -2 HT3 GLY -2 -23.901 5.456 6.318
4 HA2 GLY -2 HA1 GLY -2 -21.828 6.396 7.115
5 HA3 GLY -2 HA2 GLY -2 -21.571 5.329 5.740
6 HA PRO -1 HA PRO -1 -19.321 9.301 4.851
7 HB2 PRO -1 HB2 PRO -1 -17.360 7.999 3.417
8 HB3 PRO -1 HB1 PRO -1 -17.260 8.357 5.144
9 HG2 PRO -1 HG2 PRO -1 -18.031 5.814 3.776
10 HG3 PRO -1 HG1 PRO -1 -17.034 6.053 5.223
11 HD2 PRO -1 HD2 PRO -1 -19.594 5.262 5.389
12 HD3 PRO -1 HD1 PRO -1 -18.874 6.346 6.595
13 H HIS 0 HN HIS 0 -20.300 10.367 3.255
14 HA HIS 0 HA HIS 0 -21.425 8.967 1.002
15 HB2 HIS 0 HB2 HIS 0 -21.395 11.903 1.721
16 HB3 HIS 0 HB1 HIS 0 -22.258 11.228 0.344
17 HD1 HIS 0 HD1 HIS 0 -23.032 12.436 3.496
18 HD2 HIS 0 HD2 HIS 0 -23.965 8.881 1.545
19 HE1 HIS 0 HE1 HIS 0 -25.076 11.542 4.653
20 HE2 HIS 0 HE2 HIS 0 -25.695 9.459 3.380
21 H MET 1 HN MET 1 -18.831 8.508 0.802
22 HA MET 1 HA MET 1 -17.870 10.334 -1.300
23 HB2 MET 1 HB2 MET 1 -16.340 8.576 0.621
24 HB3 MET 1 HB1 MET 1 -15.600 9.349 -0.774
25 HG2 MET 1 HG2 MET 1 -16.944 10.764 1.515
26 HG3 MET 1 HG1 MET 1 -15.206 10.601 1.276
27 HE1 MET 1 HE1 MET 1 -13.905 11.666 -0.799
28 HE2 MET 1 HE2 MET 1 -14.677 12.667 -2.028
29 HE3 MET 1 HE3 MET 1 -15.047 10.944 -1.933
30 H VAL 2 HN VAL 2 -18.901 7.173 -0.546
31 HA VAL 2 HA VAL 2 -19.188 5.277 -1.748
32 HB VAL 2 HB VAL 2 -18.198 6.880 -4.114
33 HG11 VAL 2 HG11 VAL 2 -17.901 4.499 -4.497
34 HG12 VAL 2 HG12 VAL 2 -19.231 5.115 -5.479
35 HG13 VAL 2 HG13 VAL 2 -19.570 4.193 -4.015
36 HG21 VAL 2 HG21 VAL 2 -20.244 7.791 -3.180
37 HG22 VAL 2 HG22 VAL 2 -20.992 6.195 -3.204
38 HG23 VAL 2 HG23 VAL 2 -20.580 6.997 -4.719
39 H SER 3 HN SER 3 -16.186 6.876 -2.831
40 HA SER 3 HA SER 3 -14.794 4.323 -2.762
41 HB2 SER 3 HB2 SER 3 -14.413 5.989 -4.606
42 HB3 SER 3 HB1 SER 3 -13.696 7.069 -3.415
43 HG SER 3 HG SER 3 -12.351 5.450 -4.760
44 H SER 4 HN SER 4 -15.615 4.684 -0.315
45 HA SER 4 HA SER 4 -13.779 6.170 1.316
46 HB2 SER 4 HB2 SER 4 -15.004 4.690 3.127
47 HB3 SER 4 HB1 SER 4 -15.855 6.014 2.330
48 HG SER 4 HG SER 4 -16.381 3.360 2.276
49 H ALA 5 HN ALA 5 -14.055 2.938 0.102
50 HA ALA 5 HA ALA 5 -11.794 2.029 1.709
51 HB1 ALA 5 HB1 ALA 5 -12.258 -0.182 0.774
52 HB2 ALA 5 HB2 ALA 5 -13.530 0.507 -0.236
53 HB3 ALA 5 HB3 ALA 5 -13.700 0.505 1.519
54 H VAL 6 HN VAL 6 -10.067 0.871 0.600
55 HA VAL 6 HA VAL 6 -9.431 2.156 -1.962
56 HB VAL 6 HB VAL 6 -8.500 3.296 0.162
57 HG11 VAL 6 HG11 VAL 6 -6.604 0.964 0.001
58 HG12 VAL 6 HG12 VAL 6 -7.750 1.287 1.301
59 HG13 VAL 6 HG13 VAL 6 -6.407 2.392 1.015
60 HG21 VAL 6 HG21 VAL 6 -6.419 3.856 -0.977
61 HG22 VAL 6 HG22 VAL 6 -7.807 3.861 -2.064
62 HG23 VAL 6 HG23 VAL 6 -6.674 2.510 -2.088
63 H LYS 7 HN LYS 7 -7.538 1.065 -3.047
64 HA LYS 7 HA LYS 7 -7.652 -1.814 -2.451
65 HB2 LYS 7 HB2 LYS 7 -7.081 -0.474 -5.096
66 HB3 LYS 7 HB1 LYS 7 -7.187 -2.207 -4.814
67 HG2 LYS 7 HG2 LYS 7 -9.433 -0.228 -4.525
68 HG3 LYS 7 HG1 LYS 7 -9.211 -1.382 -5.843
69 HD2 LYS 7 HD2 LYS 7 -9.326 -3.218 -4.150
70 HD3 LYS 7 HD1 LYS 7 -9.741 -2.002 -2.941
71 HE2 LYS 7 HE2 LYS 7 -11.709 -1.378 -4.247
72 HE3 LYS 7 HE1 LYS 7 -11.294 -2.598 -5.450
73 HZ1 LYS 7 HZ1 LYS 7 -11.604 -4.311 -3.816
74 HZ2 LYS 7 HZ2 LYS 7 -12.995 -3.353 -3.874
75 HZ3 LYS 7 HZ3 LYS 7 -11.899 -3.172 -2.597
76 H CYS 8 HN CYS 8 -5.740 -3.079 -2.910
77 HA CYS 8 HA CYS 8 -3.428 -1.962 -1.724
78 HB2 CYS 8 HB2 CYS 8 -4.101 -4.390 -1.710
79 HB3 CYS 8 HB1 CYS 8 -3.609 -4.477 -3.392
80 H GLY 9 HN GLY 9 -2.086 -0.552 -2.683
81 HA2 GLY 9 HA2 GLY 9 -2.111 -0.205 -5.533
82 HA3 GLY 9 HA1 GLY 9 -1.140 0.697 -4.384
83 H ILE 10 HN ILE 10 -0.671 -2.544 -3.816
84 HA ILE 10 HA ILE 10 1.865 -2.419 -5.275
85 HB ILE 10 HB ILE 10 1.126 -4.210 -2.960
86 HG12 ILE 10 HG12 ILE 10 2.597 -1.571 -3.077
87 HG13 ILE 10 HG11 ILE 10 1.106 -1.925 -2.212
88 HG21 ILE 10 HG21 ILE 10 3.526 -4.622 -2.806
89 HG22 ILE 10 HG22 ILE 10 3.805 -3.584 -4.203
90 HG23 ILE 10 HG23 ILE 10 2.913 -5.096 -4.391
91 HD11 ILE 10 HD11 ILE 10 3.682 -3.292 -1.568
92 HD12 ILE 10 HD12 ILE 10 2.227 -3.177 -0.588
93 HD13 ILE 10 HD13 ILE 10 3.228 -1.750 -0.850
94 H CYS 11 HN CYS 11 -0.920 -4.532 -4.663
95 HA CYS 11 HA CYS 11 0.018 -6.185 -6.908
96 HB2 CYS 11 HB2 CYS 11 -0.996 -8.128 -5.931
97 HB3 CYS 11 HB1 CYS 11 0.026 -7.364 -4.720
98 H ARG 12 HN ARG 12 -2.418 -4.172 -5.732
99 HA ARG 12 HA ARG 12 -4.422 -3.474 -6.490
100 HB2 ARG 12 HB2 ARG 12 -3.416 -4.691 -9.067
101 HB3 ARG 12 HB1 ARG 12 -4.847 -3.678 -8.941
102 HG2 ARG 12 HG2 ARG 12 -2.058 -2.811 -8.207
103 HG3 ARG 12 HG1 ARG 12 -2.860 -2.460 -9.739
104 HD2 ARG 12 HD2 ARG 12 -4.565 -1.191 -8.611
105 HD3 ARG 12 HD1 ARG 12 -3.917 -1.643 -7.037
106 HE ARG 12 HE ARG 12 -1.897 -0.360 -8.494
107 HH11 ARG 12 HH11 ARG 12 -4.999 0.384 -7.044
108 HH12 ARG 12 HH12 ARG 12 -4.571 2.023 -6.668
109 HH21 ARG 12 HH21 ARG 12 -1.340 1.796 -8.024
110 HH22 ARG 12 HH22 ARG 12 -2.486 2.829 -7.234
111 H GLY 13 HN GLY 13 -4.144 -6.186 -5.350
112 HA2 GLY 13 HA2 GLY 13 -6.012 -7.834 -6.832
113 HA3 GLY 13 HA1 GLY 13 -5.190 -8.265 -5.342
114 H VAL 14 HN VAL 14 -5.938 -6.963 -3.388
115 HA VAL 14 HA VAL 14 -8.856 -6.638 -3.539
116 HB VAL 14 HB VAL 14 -9.074 -7.512 -1.285
117 HG11 VAL 14 HG11 VAL 14 -9.208 -9.112 -3.105
118 HG12 VAL 14 HG12 VAL 14 -8.471 -9.853 -1.684
119 HG13 VAL 14 HG13 VAL 14 -7.461 -9.352 -3.039
120 HG21 VAL 14 HG21 VAL 14 -7.174 -8.527 -0.109
121 HG22 VAL 14 HG22 VAL 14 -6.945 -6.795 -0.359
122 HG23 VAL 14 HG23 VAL 14 -6.093 -7.954 -1.379
123 H ASP 15 HN ASP 15 -9.308 -5.670 -1.011
124 HA ASP 15 HA ASP 15 -8.662 -2.946 -1.352
125 HB2 ASP 15 HB2 ASP 15 -9.780 -4.319 1.096
126 HB3 ASP 15 HB1 ASP 15 -9.833 -2.593 0.761
127 H GLY 16 HN GLY 16 -7.272 -1.614 -0.273
128 HA2 GLY 16 HA2 GLY 16 -5.005 -2.919 1.012
129 HA3 GLY 16 HA1 GLY 16 -5.091 -1.239 0.499
130 H LYS 17 HN LYS 17 -6.258 -3.527 2.915
131 HA LYS 17 HA LYS 17 -7.410 -1.579 4.621
132 HB2 LYS 17 HB2 LYS 17 -7.173 -3.432 6.372
133 HB3 LYS 17 HB1 LYS 17 -8.176 -3.762 4.967
134 HG2 LYS 17 HG2 LYS 17 -6.574 -5.181 4.017
135 HG3 LYS 17 HG1 LYS 17 -5.296 -4.596 5.085
136 HD2 LYS 17 HD2 LYS 17 -6.247 -5.677 6.961
137 HD3 LYS 17 HD1 LYS 17 -7.745 -6.024 6.093
138 HE2 LYS 17 HE2 LYS 17 -6.416 -7.474 4.554
139 HE3 LYS 17 HE1 LYS 17 -5.024 -7.224 5.606
140 HZ1 LYS 17 HZ1 LYS 17 -6.176 -9.288 6.106
141 HZ2 LYS 17 HZ2 LYS 17 -7.603 -8.443 6.430
142 HZ3 LYS 17 HZ3 LYS 17 -6.248 -8.228 7.418
143 H TYR 18 HN TYR 18 -4.183 -2.860 4.311
144 HA TYR 18 HA TYR 18 -3.299 -1.481 6.728
145 HB2 TYR 18 HB2 TYR 18 -2.080 -3.525 4.897
146 HB3 TYR 18 HB1 TYR 18 -1.052 -2.567 5.944
147 HD1 TYR 18 HD1 TYR 18 -4.411 -3.962 6.737
148 HD2 TYR 18 HD2 TYR 18 -0.218 -4.152 7.420
149 HE1 TYR 18 HE1 TYR 18 -4.784 -5.577 8.554
150 HE2 TYR 18 HE2 TYR 18 -0.579 -5.761 9.241
151 HH TYR 18 HH TYR 18 -2.355 -6.432 10.783
152 H LYS 19 HN LYS 19 -1.469 0.014 6.615
153 HA LYS 19 HA LYS 19 -1.075 1.283 4.006
154 HB2 LYS 19 HB2 LYS 19 -3.075 2.291 5.210
155 HB3 LYS 19 HB1 LYS 19 -1.945 2.860 6.429
156 HG2 LYS 19 HG2 LYS 19 -1.484 3.578 3.574
157 HG3 LYS 19 HG1 LYS 19 -2.727 4.422 4.490
158 HD2 LYS 19 HD2 LYS 19 -0.870 4.753 6.255
159 HD3 LYS 19 HD1 LYS 19 0.228 4.349 4.933
160 HE2 LYS 19 HE2 LYS 19 -0.572 6.191 3.624
161 HE3 LYS 19 HE1 LYS 19 -1.846 6.532 4.793
162 HZ1 LYS 19 HZ1 LYS 19 1.076 6.817 5.239
163 HZ2 LYS 19 HZ2 LYS 19 -0.103 7.050 6.428
164 HZ3 LYS 19 HZ3 LYS 19 -0.044 8.073 5.084
165 H CYS 20 HN CYS 20 0.844 2.431 3.823
166 HA CYS 20 HA CYS 20 2.759 1.993 6.004
167 HB2 CYS 20 HB2 CYS 20 3.419 1.260 3.738
168 HB3 CYS 20 HB1 CYS 20 3.271 2.917 3.164
169 HA PRO 21 HA PRO 21 2.074 6.326 7.008
170 HB2 PRO 21 HB2 PRO 21 3.808 6.337 9.126
171 HB3 PRO 21 HB1 PRO 21 2.136 5.777 9.228
172 HG2 PRO 21 HG2 PRO 21 4.651 4.187 8.928
173 HG3 PRO 21 HG1 PRO 21 3.232 3.857 9.937
174 HD2 PRO 21 HD2 PRO 21 3.643 2.599 7.587
175 HD3 PRO 21 HD1 PRO 21 2.017 3.000 8.166
176 H LYS 22 HN LYS 22 4.888 4.711 5.981
177 HA LYS 22 HA LYS 22 6.604 7.043 6.174
178 HB2 LYS 22 HB2 LYS 22 7.189 4.342 4.966
179 HB3 LYS 22 HB1 LYS 22 8.363 5.591 5.352
180 HG2 LYS 22 HG2 LYS 22 6.648 4.130 7.342
181 HG3 LYS 22 HG1 LYS 22 8.344 3.784 7.002
182 HD2 LYS 22 HD2 LYS 22 7.274 6.401 8.066
183 HD3 LYS 22 HD1 LYS 22 8.052 5.148 9.036
184 HE2 LYS 22 HE2 LYS 22 10.111 5.421 7.777
185 HE3 LYS 22 HE1 LYS 22 9.342 6.614 6.733
186 HZ1 LYS 22 HZ1 LYS 22 9.057 8.055 8.643
187 HZ2 LYS 22 HZ2 LYS 22 10.690 7.655 8.444
188 HZ3 LYS 22 HZ3 LYS 22 9.780 6.907 9.654
189 H CYS 23 HN CYS 23 5.485 4.922 3.487
190 HA CYS 23 HA CYS 23 6.246 7.097 1.672
191 HB2 CYS 23 HB2 CYS 23 5.954 5.454 -0.181
192 HB3 CYS 23 HB1 CYS 23 7.207 5.024 0.971
193 H GLY 24 HN GLY 24 3.497 5.529 2.983
194 HA2 GLY 24 HA2 GLY 24 1.383 6.554 3.029
195 HA3 GLY 24 HA1 GLY 24 1.822 7.478 1.600
196 H VAL 25 HN VAL 25 2.560 4.157 1.560
197 HA VAL 25 HA VAL 25 0.738 3.817 -0.657
198 HB VAL 25 HB VAL 25 3.206 3.028 -0.538
199 HG11 VAL 25 HG11 VAL 25 3.480 0.695 0.199
200 HG12 VAL 25 HG12 VAL 25 1.852 0.741 0.878
201 HG13 VAL 25 HG13 VAL 25 3.108 1.795 1.526
202 HG21 VAL 25 HG21 VAL 25 2.745 1.178 -2.067
203 HG22 VAL 25 HG22 VAL 25 1.743 2.587 -2.415
204 HG23 VAL 25 HG23 VAL 25 1.052 1.200 -1.574
205 H ARG 26 HN ARG 26 -0.589 1.923 -0.828
206 HA ARG 26 HA ARG 26 -1.679 1.034 1.755
207 HB2 ARG 26 HB2 ARG 26 -3.016 1.720 -0.850
208 HB3 ARG 26 HB1 ARG 26 -3.785 0.618 0.283
209 HG2 ARG 26 HG2 ARG 26 -2.888 3.377 1.053
210 HG3 ARG 26 HG1 ARG 26 -4.496 3.026 0.414
211 HD2 ARG 26 HD2 ARG 26 -4.768 1.352 2.248
212 HD3 ARG 26 HD1 ARG 26 -3.247 1.930 2.927
213 HE ARG 26 HE ARG 26 -4.626 4.201 2.758
214 HH11 ARG 26 HH11 ARG 26 -5.653 1.047 3.882
215 HH12 ARG 26 HH12 ARG 26 -6.731 1.690 5.083
216 HH21 ARG 26 HH21 ARG 26 -6.058 5.047 4.337
217 HH22 ARG 26 HH22 ARG 26 -6.961 3.957 5.340
218 H TYR 27 HN TYR 27 -1.643 -1.101 2.114
219 HA TYR 27 HA TYR 27 -1.443 -2.869 -0.214
220 HB2 TYR 27 HB2 TYR 27 -0.071 -4.305 1.659
221 HB3 TYR 27 HB1 TYR 27 0.662 -3.358 0.379
222 HD1 TYR 27 HD1 TYR 27 -0.720 -2.704 3.792
223 HD2 TYR 27 HD2 TYR 27 2.446 -2.089 1.036
224 HE1 TYR 27 HE1 TYR 27 0.492 -1.382 5.480
225 HE2 TYR 27 HE2 TYR 27 3.660 -0.774 2.712
226 HH TYR 27 HH TYR 27 2.666 -0.669 6.009
227 H CYS 28 HN CYS 28 -2.166 -4.964 0.083
228 HA CYS 28 HA CYS 28 -4.646 -5.035 1.453
229 HB2 CYS 28 HB2 CYS 28 -4.859 -7.271 0.435
230 HB3 CYS 28 HB1 CYS 28 -4.380 -6.055 -0.738
231 H SER 29 HN SER 29 -1.462 -6.027 2.257
232 HA SER 29 HA SER 29 -2.091 -6.733 4.887
233 HB2 SER 29 HB2 SER 29 -1.665 -9.173 4.810
234 HB3 SER 29 HB1 SER 29 -3.103 -8.742 3.890
235 HG SER 29 HG SER 29 -2.176 -9.439 2.141
236 H LEU 30 HN LEU 30 -0.088 -8.398 5.618
237 HA LEU 30 HA LEU 30 2.266 -6.887 5.309
238 HB2 LEU 30 HB2 LEU 30 1.688 -9.613 6.403
239 HB3 LEU 30 HB1 LEU 30 3.338 -9.041 6.256
240 HG LEU 30 HG LEU 30 1.178 -7.665 7.860
241 HD11 LEU 30 HD11 LEU 30 3.489 -9.381 8.746
242 HD12 LEU 30 HD12 LEU 30 1.783 -9.822 8.818
243 HD13 LEU 30 HD13 LEU 30 2.394 -8.496 9.807
244 HD21 LEU 30 HD21 LEU 30 4.153 -7.187 7.708
245 HD22 LEU 30 HD22 LEU 30 3.015 -6.345 8.759
246 HD23 LEU 30 HD23 LEU 30 2.910 -6.151 7.011
247 H LYS 31 HN LYS 31 0.843 -9.294 3.346
248 HA LYS 31 HA LYS 31 3.087 -10.556 2.251
249 HB2 LYS 31 HB2 LYS 31 0.468 -9.935 0.873
250 HB3 LYS 31 HB1 LYS 31 1.628 -11.161 0.385
251 HG2 LYS 31 HG2 LYS 31 0.152 -11.158 3.006
252 HG3 LYS 31 HG1 LYS 31 -0.336 -12.065 1.575
253 HD2 LYS 31 HD2 LYS 31 1.767 -13.302 1.633
254 HD3 LYS 31 HD1 LYS 31 2.276 -12.378 3.047
255 HE2 LYS 31 HE2 LYS 31 1.408 -14.577 3.676
256 HE3 LYS 31 HE1 LYS 31 0.413 -13.274 4.328
257 HZ1 LYS 31 HZ1 LYS 31 -0.956 -15.027 3.423
258 HZ2 LYS 31 HZ2 LYS 31 -0.201 -14.895 1.918
259 HZ3 LYS 31 HZ3 LYS 31 -1.147 -13.622 2.503
260 H CYS 32 HN CYS 32 1.433 -7.588 1.346
261 HA CYS 32 HA CYS 32 3.445 -7.068 -0.703
262 HB2 CYS 32 HB2 CYS 32 0.850 -5.669 -0.032
263 HB3 CYS 32 HB1 CYS 32 1.957 -5.144 -1.297
264 H TYR 33 HN TYR 33 2.530 -6.164 2.487
265 HA TYR 33 HA TYR 33 3.718 -3.650 2.746
266 HB2 TYR 33 HB2 TYR 33 2.304 -4.910 4.465
267 HB3 TYR 33 HB1 TYR 33 3.766 -5.792 4.882
268 HD1 TYR 33 HD1 TYR 33 5.336 -2.963 4.282
269 HD2 TYR 33 HD2 TYR 33 2.263 -4.299 6.903
270 HE1 TYR 33 HE1 TYR 33 5.921 -1.180 5.879
271 HE2 TYR 33 HE2 TYR 33 2.854 -2.536 8.509
272 HH TYR 33 HH TYR 33 5.037 0.025 7.704
273 H LYS 34 HN LYS 34 5.126 -6.845 3.510
274 HA LYS 34 HA LYS 34 7.751 -5.603 3.679
275 HB2 LYS 34 HB2 LYS 34 7.014 -8.482 4.175
276 HB3 LYS 34 HB1 LYS 34 8.511 -7.684 4.626
277 HG2 LYS 34 HG2 LYS 34 7.168 -6.183 6.103
278 HG3 LYS 34 HG1 LYS 34 5.770 -7.197 5.757
279 HD2 LYS 34 HD2 LYS 34 8.329 -7.987 7.142
280 HD3 LYS 34 HD1 LYS 34 6.711 -7.916 7.837
281 HE2 LYS 34 HE2 LYS 34 7.620 -9.819 5.677
282 HE3 LYS 34 HE1 LYS 34 7.423 -10.221 7.380
283 HZ1 LYS 34 HZ1 LYS 34 5.051 -9.636 7.143
284 HZ2 LYS 34 HZ2 LYS 34 5.512 -10.944 6.178
285 HZ3 LYS 34 HZ3 LYS 34 5.289 -9.424 5.481
286 H ASP 35 HN ASP 35 6.507 -5.756 1.099
287 HA ASP 35 HA ASP 35 8.249 -7.662 -0.297
288 HB2 ASP 35 HB2 ASP 35 5.882 -7.669 -0.985
289 HB3 ASP 35 HB1 ASP 35 5.977 -5.950 -1.352
290 H ALA 36 HN ALA 36 10.113 -6.918 -1.114
291 HA ALA 36 HA ALA 36 10.467 -4.004 -1.225
292 HB1 ALA 36 HB1 ALA 36 12.578 -6.155 -1.094
293 HB2 ALA 36 HB2 ALA 36 11.978 -5.228 0.280
294 HB3 ALA 36 HB3 ALA 36 12.850 -4.413 -1.019
295 H ALA 37 HN ALA 37 9.360 -5.990 -3.287
296 HA ALA 37 HA ALA 37 11.225 -5.443 -5.483
297 HB1 ALA 37 HB1 ALA 37 8.777 -7.208 -5.425
298 HB2 ALA 37 HB2 ALA 37 10.442 -7.756 -5.241
299 HB3 ALA 37 HB3 ALA 37 9.912 -7.048 -6.767
300 H LYS 38 HN LYS 38 7.817 -5.120 -4.582
301 HA LYS 38 HA LYS 38 7.488 -3.112 -6.706
302 HB2 LYS 38 HB2 LYS 38 5.422 -4.590 -5.076
303 HB3 LYS 38 HB1 LYS 38 5.065 -3.406 -6.326
304 HG2 LYS 38 HG2 LYS 38 6.199 -4.855 -7.971
305 HG3 LYS 38 HG1 LYS 38 6.432 -6.059 -6.701
306 HD2 LYS 38 HD2 LYS 38 3.986 -6.142 -6.387
307 HD3 LYS 38 HD1 LYS 38 3.796 -5.018 -7.732
308 HE2 LYS 38 HE2 LYS 38 5.018 -7.772 -7.860
309 HE3 LYS 38 HE1 LYS 38 3.431 -7.305 -8.469
310 HZ1 LYS 38 HZ1 LYS 38 4.535 -5.798 -10.025
311 HZ2 LYS 38 HZ2 LYS 38 5.032 -7.396 -10.253
312 HZ3 LYS 38 HZ3 LYS 38 6.046 -6.304 -9.457
313 H HIS 39 HN HIS 39 7.346 -3.613 -3.260
314 HA HIS 39 HA HIS 39 6.565 -0.818 -2.851
315 HB2 HIS 39 HB2 HIS 39 5.257 -2.441 -1.599
316 HB3 HIS 39 HB1 HIS 39 6.715 -3.132 -0.905
317 HD1 HIS 39 HD1 HIS 39 6.181 -2.593 1.535
318 HD2 HIS 39 HD2 HIS 39 6.048 0.724 -0.966
319 HE1 HIS 39 HE1 HIS 39 6.016 -0.571 3.036
320 H VAL 40 HN VAL 40 8.467 0.182 -3.343
321 HA VAL 40 HA VAL 40 10.743 -0.516 -1.637
322 HB VAL 40 HB VAL 40 11.338 -1.245 -3.795
323 HG11 VAL 40 HG11 VAL 40 9.597 -0.165 -5.066
324 HG12 VAL 40 HG12 VAL 40 11.170 0.145 -5.806
325 HG13 VAL 40 HG13 VAL 40 10.380 1.403 -4.854
326 HG21 VAL 40 HG21 VAL 40 13.199 0.217 -4.440
327 HG22 VAL 40 HG22 VAL 40 13.118 -0.006 -2.692
328 HG23 VAL 40 HG23 VAL 40 12.542 1.494 -3.417
329 H HIS 41 HN HIS 41 11.379 0.932 -0.333
330 HA HIS 41 HA HIS 41 10.362 3.597 -0.400
331 HB2 HIS 41 HB2 HIS 41 11.995 1.962 1.455
332 HB3 HIS 41 HB1 HIS 41 12.202 3.708 1.556
333 HD1 HIS 41 HD1 HIS 41 10.974 2.417 3.977
334 HD2 HIS 41 HD2 HIS 41 8.738 3.677 0.731
335 HE1 HIS 41 HE1 HIS 41 8.646 2.880 4.853
336 H LYS 42 HN LYS 42 11.191 4.189 -2.468
337 HA LYS 42 HA LYS 42 14.028 4.745 -2.688
338 HB2 LYS 42 HB2 LYS 42 12.734 3.995 -4.654
339 HB3 LYS 42 HB1 LYS 42 11.714 5.419 -4.524
340 HG2 LYS 42 HG2 LYS 42 13.312 5.740 -6.282
341 HG3 LYS 42 HG1 LYS 42 13.692 6.832 -4.950
342 HD2 LYS 42 HD2 LYS 42 15.473 5.376 -4.210
343 HD3 LYS 42 HD1 LYS 42 15.043 4.177 -5.432
344 HE2 LYS 42 HE2 LYS 42 15.621 5.739 -7.198
345 HE3 LYS 42 HE1 LYS 42 15.976 6.986 -6.006
346 HZ1 LYS 42 HZ1 LYS 42 17.992 5.934 -6.799
347 HZ2 LYS 42 HZ2 LYS 42 17.434 4.416 -6.309
348 HZ3 LYS 42 HZ3 LYS 42 17.771 5.607 -5.157
349 H GLU 43 HN GLU 43 14.861 6.487 -1.764
350 HA GLU 43 HA GLU 43 15.124 8.542 -0.844
351 HB2 GLU 43 HB2 GLU 43 13.019 9.299 -2.880
352 HB3 GLU 43 HB1 GLU 43 13.974 10.448 -1.954
353 HG2 GLU 43 HG2 GLU 43 15.081 8.420 -3.879
354 HG3 GLU 43 HG1 GLU 43 14.822 10.127 -4.229
355 H SER 44 HN SER 44 13.663 6.923 0.684
356 HA SER 44 HA SER 44 11.147 8.122 1.422
357 HB2 SER 44 HB2 SER 44 11.259 6.363 3.272
358 HB3 SER 44 HB1 SER 44 11.215 5.762 1.614
359 HG SER 44 HG SER 44 13.760 6.176 2.341
360 H GLU 45 HN GLU 45 12.665 10.163 1.683
361 HA GLU 45 HA GLU 45 13.701 10.340 4.408
362 HB2 GLU 45 HB2 GLU 45 14.976 11.299 2.471
363 HB3 GLU 45 HB1 GLU 45 13.666 12.447 2.240
364 HG2 GLU 45 HG2 GLU 45 14.065 13.278 4.541
365 HG3 GLU 45 HG1 GLU 45 15.473 12.222 4.630
366 H GLN 46 HN GLN 46 11.790 10.243 5.590
367 HA GLN 46 HA GLN 46 9.759 12.283 5.050
368 HB2 GLN 46 HB2 GLN 46 9.005 9.943 5.232
369 HB3 GLN 46 HB1 GLN 46 9.669 9.859 6.855
370 HG2 GLN 46 HG2 GLN 46 8.092 11.567 7.595
371 HG3 GLN 46 HG1 GLN 46 7.424 11.654 5.965
372 HE21 GLN 46 HE21 GLN 46 5.383 11.035 6.654
373 HE22 GLN 46 HE22 GLN 46 5.027 9.406 7.124
Start of MODEL 18
1 H1 GLY -2 HT1 GLY -2 -25.310 -4.642 -10.138
2 H2 GLY -2 HT2 GLY -2 -24.652 -6.131 -9.685
3 H3 GLY -2 HT3 GLY -2 -23.710 -5.015 -10.534
4 HA2 GLY -2 HA1 GLY -2 -24.764 -4.675 -7.789
5 HA3 GLY -2 HA2 GLY -2 -23.095 -5.035 -8.212
6 HA PRO -1 HA PRO -1 -23.576 -0.414 -8.009
7 HB2 PRO -1 HB2 PRO -1 -21.418 -0.446 -6.071
8 HB3 PRO -1 HB1 PRO -1 -23.070 0.138 -5.869
9 HG2 PRO -1 HG2 PRO -1 -22.099 -2.072 -4.604
10 HG3 PRO -1 HG1 PRO -1 -23.809 -1.854 -5.016
11 HD2 PRO -1 HD2 PRO -1 -21.708 -3.454 -6.428
12 HD3 PRO -1 HD1 PRO -1 -23.410 -3.857 -6.110
13 H HIS 0 HN HIS 0 -21.979 1.184 -8.673
14 HA HIS 0 HA HIS 0 -19.875 -0.022 -10.271
15 HB2 HIS 0 HB2 HIS 0 -19.539 2.223 -11.222
16 HB3 HIS 0 HB1 HIS 0 -21.212 1.706 -11.340
17 HD1 HIS 0 HD1 HIS 0 -22.966 3.166 -10.229
18 HD2 HIS 0 HD2 HIS 0 -19.075 4.357 -9.382
19 HE1 HIS 0 HE1 HIS 0 -23.167 5.434 -9.165
20 HE2 HIS 0 HE2 HIS 0 -20.797 6.181 -8.755
21 H MET 1 HN MET 1 -19.332 -0.508 -7.734
22 HA MET 1 HA MET 1 -17.822 -0.351 -6.068
23 HB2 MET 1 HB2 MET 1 -16.305 1.237 -8.137
24 HB3 MET 1 HB1 MET 1 -15.631 0.761 -6.585
25 HG2 MET 1 HG2 MET 1 -16.533 -1.036 -8.820
26 HG3 MET 1 HG1 MET 1 -14.892 -0.796 -8.225
27 HE1 MET 1 HE1 MET 1 -14.157 -1.500 -5.695
28 HE2 MET 1 HE2 MET 1 -15.219 -2.379 -4.598
29 HE3 MET 1 HE3 MET 1 -15.583 -0.708 -5.025
30 H VAL 2 HN VAL 2 -19.786 1.052 -5.409
31 HA VAL 2 HA VAL 2 -19.157 3.837 -4.964
32 HB VAL 2 HB VAL 2 -21.481 3.023 -5.405
33 HG11 VAL 2 HG11 VAL 2 -21.420 0.974 -4.106
34 HG12 VAL 2 HG12 VAL 2 -22.751 2.007 -3.582
35 HG13 VAL 2 HG13 VAL 2 -21.279 1.907 -2.614
36 HG21 VAL 2 HG21 VAL 2 -21.039 4.505 -2.820
37 HG22 VAL 2 HG22 VAL 2 -22.565 4.437 -3.698
38 HG23 VAL 2 HG23 VAL 2 -21.159 5.204 -4.435
39 H SER 3 HN SER 3 -18.407 0.922 -3.512
40 HA SER 3 HA SER 3 -18.398 1.561 -0.778
41 HB2 SER 3 HB2 SER 3 -16.506 -0.287 -2.254
42 HB3 SER 3 HB1 SER 3 -16.909 -0.342 -0.538
43 HG SER 3 HG SER 3 -19.114 -0.744 -1.212
44 H SER 4 HN SER 4 -17.092 2.812 0.403
45 HA SER 4 HA SER 4 -15.064 4.352 -0.981
46 HB2 SER 4 HB2 SER 4 -16.038 4.571 1.876
47 HB3 SER 4 HB1 SER 4 -15.063 5.755 1.007
48 HG SER 4 HG SER 4 -17.744 4.986 0.489
49 H ALA 5 HN ALA 5 -13.465 2.783 -1.291
50 HA ALA 5 HA ALA 5 -11.643 2.479 0.914
51 HB1 ALA 5 HB1 ALA 5 -11.546 0.054 0.878
52 HB2 ALA 5 HB2 ALA 5 -12.829 -0.002 -0.329
53 HB3 ALA 5 HB3 ALA 5 -13.175 0.582 1.298
54 H VAL 6 HN VAL 6 -9.651 1.669 0.315
55 HA VAL 6 HA VAL 6 -9.065 2.313 -2.473
56 HB VAL 6 HB VAL 6 -8.013 3.512 -0.457
57 HG11 VAL 6 HG11 VAL 6 -6.112 2.501 0.590
58 HG12 VAL 6 HG12 VAL 6 -6.272 1.059 -0.407
59 HG13 VAL 6 HG13 VAL 6 -7.500 1.437 0.798
60 HG21 VAL 6 HG21 VAL 6 -7.249 3.780 -2.725
61 HG22 VAL 6 HG22 VAL 6 -6.246 2.339 -2.580
62 HG23 VAL 6 HG23 VAL 6 -5.886 3.766 -1.608
63 H LYS 7 HN LYS 7 -7.512 0.969 -3.627
64 HA LYS 7 HA LYS 7 -7.664 -1.833 -2.774
65 HB2 LYS 7 HB2 LYS 7 -6.836 -0.701 -5.451
66 HB3 LYS 7 HB1 LYS 7 -7.072 -2.399 -5.062
67 HG2 LYS 7 HG2 LYS 7 -9.232 -0.311 -4.997
68 HG3 LYS 7 HG1 LYS 7 -8.944 -1.442 -6.321
69 HD2 LYS 7 HD2 LYS 7 -9.257 -3.307 -4.680
70 HD3 LYS 7 HD1 LYS 7 -9.752 -2.099 -3.492
71 HE2 LYS 7 HE2 LYS 7 -11.585 -1.412 -4.926
72 HE3 LYS 7 HE1 LYS 7 -11.068 -2.558 -6.161
73 HZ1 LYS 7 HZ1 LYS 7 -12.875 -3.487 -4.908
74 HZ2 LYS 7 HZ2 LYS 7 -12.068 -3.224 -3.446
75 HZ3 LYS 7 HZ3 LYS 7 -11.467 -4.353 -4.551
76 H CYS 8 HN CYS 8 -5.776 -3.191 -2.951
77 HA CYS 8 HA CYS 8 -3.489 -2.086 -1.740
78 HB2 CYS 8 HB2 CYS 8 -4.169 -4.474 -1.604
79 HB3 CYS 8 HB1 CYS 8 -3.713 -4.675 -3.285
80 H GLY 9 HN GLY 9 -2.111 -0.716 -2.671
81 HA2 GLY 9 HA2 GLY 9 -1.884 -0.554 -5.544
82 HA3 GLY 9 HA1 GLY 9 -1.063 0.462 -4.368
83 H ILE 10 HN ILE 10 -0.843 -2.985 -4.073
84 HA ILE 10 HA ILE 10 1.860 -2.885 -5.226
85 HB ILE 10 HB ILE 10 1.078 -4.512 -2.807
86 HG12 ILE 10 HG12 ILE 10 2.486 -1.852 -3.064
87 HG13 ILE 10 HG11 ILE 10 1.038 -2.223 -2.140
88 HG21 ILE 10 HG21 ILE 10 2.878 -5.490 -4.139
89 HG22 ILE 10 HG22 ILE 10 3.486 -4.901 -2.592
90 HG23 ILE 10 HG23 ILE 10 3.769 -3.970 -4.062
91 HD11 ILE 10 HD11 ILE 10 3.025 -1.892 -0.746
92 HD12 ILE 10 HD12 ILE 10 3.775 -3.282 -1.531
93 HD13 ILE 10 HD13 ILE 10 2.318 -3.496 -0.565
94 H CYS 11 HN CYS 11 -0.980 -4.895 -4.527
95 HA CYS 11 HA CYS 11 -0.060 -6.689 -6.676
96 HB2 CYS 11 HB2 CYS 11 -1.149 -8.559 -5.619
97 HB3 CYS 11 HB1 CYS 11 -0.098 -7.790 -4.437
98 H ARG 12 HN ARG 12 -2.411 -4.549 -5.591
99 HA ARG 12 HA ARG 12 -4.434 -3.861 -6.286
100 HB2 ARG 12 HB2 ARG 12 -3.324 -4.984 -8.847
101 HB3 ARG 12 HB1 ARG 12 -4.900 -4.206 -8.781
102 HG2 ARG 12 HG2 ARG 12 -3.467 -2.507 -9.456
103 HG3 ARG 12 HG1 ARG 12 -3.667 -2.225 -7.728
104 HD2 ARG 12 HD2 ARG 12 -1.531 -3.430 -7.341
105 HD3 ARG 12 HD1 ARG 12 -1.320 -3.536 -9.090
106 HE ARG 12 HE ARG 12 -1.753 -0.857 -8.149
107 HH11 ARG 12 HH11 ARG 12 0.677 -3.318 -8.708
108 HH12 ARG 12 HH12 ARG 12 1.981 -2.180 -8.819
109 HH21 ARG 12 HH21 ARG 12 -0.037 0.640 -8.312
110 HH22 ARG 12 HH22 ARG 12 1.571 0.068 -8.616
111 H GLY 13 HN GLY 13 -4.224 -6.510 -5.103
112 HA2 GLY 13 HA2 GLY 13 -6.116 -8.182 -6.516
113 HA3 GLY 13 HA1 GLY 13 -5.342 -8.542 -4.980
114 H VAL 14 HN VAL 14 -6.089 -7.098 -3.128
115 HA VAL 14 HA VAL 14 -8.978 -6.603 -3.394
116 HB VAL 14 HB VAL 14 -9.313 -7.263 -1.089
117 HG11 VAL 14 HG11 VAL 14 -8.801 -9.652 -1.241
118 HG12 VAL 14 HG12 VAL 14 -7.722 -9.327 -2.596
119 HG13 VAL 14 HG13 VAL 14 -9.453 -9.019 -2.753
120 HG21 VAL 14 HG21 VAL 14 -6.353 -7.826 -1.016
121 HG22 VAL 14 HG22 VAL 14 -7.503 -8.249 0.252
122 HG23 VAL 14 HG23 VAL 14 -7.199 -6.554 -0.135
123 H ASP 15 HN ASP 15 -9.469 -5.397 -1.023
124 HA ASP 15 HA ASP 15 -8.672 -2.754 -1.437
125 HB2 ASP 15 HB2 ASP 15 -9.725 -2.287 0.742
126 HB3 ASP 15 HB1 ASP 15 -10.738 -3.306 -0.273
127 H GLY 16 HN GLY 16 -7.268 -1.407 -0.393
128 HA2 GLY 16 HA2 GLY 16 -4.986 -2.683 0.904
129 HA3 GLY 16 HA1 GLY 16 -5.081 -1.011 0.361
130 H LYS 17 HN LYS 17 -6.473 -3.229 2.723
131 HA LYS 17 HA LYS 17 -7.515 -1.243 4.439
132 HB2 LYS 17 HB2 LYS 17 -7.605 -3.141 6.100
133 HB3 LYS 17 HB1 LYS 17 -8.432 -3.423 4.574
134 HG2 LYS 17 HG2 LYS 17 -6.720 -4.846 3.798
135 HG3 LYS 17 HG1 LYS 17 -5.628 -4.369 5.096
136 HD2 LYS 17 HD2 LYS 17 -6.362 -6.372 5.912
137 HD3 LYS 17 HD1 LYS 17 -7.576 -5.298 6.608
138 HE2 LYS 17 HE2 LYS 17 -7.879 -6.905 4.073
139 HE3 LYS 17 HE1 LYS 17 -8.580 -7.307 5.637
140 HZ1 LYS 17 HZ1 LYS 17 -9.239 -4.962 3.930
141 HZ2 LYS 17 HZ2 LYS 17 -9.815 -5.180 5.511
142 HZ3 LYS 17 HZ3 LYS 17 -10.239 -6.279 4.302
143 H TYR 18 HN TYR 18 -4.356 -2.580 4.090
144 HA TYR 18 HA TYR 18 -3.485 -1.492 6.669
145 HB2 TYR 18 HB2 TYR 18 -2.304 -3.443 4.713
146 HB3 TYR 18 HB1 TYR 18 -1.287 -2.670 5.919
147 HD1 TYR 18 HD1 TYR 18 -4.768 -3.661 6.581
148 HD2 TYR 18 HD2 TYR 18 -0.673 -4.708 7.005
149 HE1 TYR 18 HE1 TYR 18 -5.394 -5.441 8.144
150 HE2 TYR 18 HE2 TYR 18 -1.284 -6.485 8.589
151 HH TYR 18 HH TYR 18 -3.081 -7.088 10.074
152 H LYS 19 HN LYS 19 -1.673 -0.021 6.749
153 HA LYS 19 HA LYS 19 -1.216 1.412 4.223
154 HB2 LYS 19 HB2 LYS 19 -3.023 2.429 5.714
155 HB3 LYS 19 HB1 LYS 19 -1.744 2.802 6.849
156 HG2 LYS 19 HG2 LYS 19 -1.673 3.765 4.018
157 HG3 LYS 19 HG1 LYS 19 -2.547 4.628 5.271
158 HD2 LYS 19 HD2 LYS 19 -0.311 4.515 6.564
159 HD3 LYS 19 HD1 LYS 19 0.386 4.169 4.977
160 HE2 LYS 19 HE2 LYS 19 0.527 6.518 5.312
161 HE3 LYS 19 HE1 LYS 19 -0.750 6.224 4.132
162 HZ1 LYS 19 HZ1 LYS 19 -1.418 7.868 5.768
163 HZ2 LYS 19 HZ2 LYS 19 -1.165 6.765 7.021
164 HZ3 LYS 19 HZ3 LYS 19 -2.387 6.489 5.887
165 H CYS 20 HN CYS 20 0.752 2.441 4.005
166 HA CYS 20 HA CYS 20 2.809 1.647 5.949
167 HB2 CYS 20 HB2 CYS 20 3.091 0.936 3.570
168 HB3 CYS 20 HB1 CYS 20 3.163 2.626 3.109
169 HA PRO 21 HA PRO 21 2.499 6.005 7.094
170 HB2 PRO 21 HB2 PRO 21 4.137 5.830 9.256
171 HB3 PRO 21 HB1 PRO 21 2.445 5.321 9.283
172 HG2 PRO 21 HG2 PRO 21 4.918 3.661 8.947
173 HG3 PRO 21 HG1 PRO 21 3.489 3.348 9.950
174 HD2 PRO 21 HD2 PRO 21 3.840 2.159 7.557
175 HD3 PRO 21 HD1 PRO 21 2.233 2.614 8.155
176 H LYS 22 HN LYS 22 5.169 4.249 5.982
177 HA LYS 22 HA LYS 22 7.134 6.323 6.408
178 HB2 LYS 22 HB2 LYS 22 7.370 3.850 4.695
179 HB3 LYS 22 HB1 LYS 22 8.686 4.844 5.302
180 HG2 LYS 22 HG2 LYS 22 6.814 3.194 6.983
181 HG3 LYS 22 HG1 LYS 22 8.464 2.754 6.542
182 HD2 LYS 22 HD2 LYS 22 7.672 5.180 8.155
183 HD3 LYS 22 HD1 LYS 22 8.301 3.675 8.823
184 HE2 LYS 22 HE2 LYS 22 10.376 3.994 7.538
185 HE3 LYS 22 HE1 LYS 22 9.745 5.520 6.923
186 HZ1 LYS 22 HZ1 LYS 22 9.668 6.366 9.175
187 HZ2 LYS 22 HZ2 LYS 22 11.233 5.852 8.798
188 HZ3 LYS 22 HZ3 LYS 22 10.245 4.895 9.780
189 H CYS 23 HN CYS 23 5.464 4.899 3.611
190 HA CYS 23 HA CYS 23 6.426 7.159 1.990
191 HB2 CYS 23 HB2 CYS 23 6.141 5.703 0.044
192 HB3 CYS 23 HB1 CYS 23 7.165 4.927 1.240
193 H GLY 24 HN GLY 24 3.621 5.279 2.946
194 HA2 GLY 24 HA2 GLY 24 1.516 6.411 3.233
195 HA3 GLY 24 HA1 GLY 24 1.907 7.402 1.833
196 H VAL 25 HN VAL 25 2.682 4.076 1.578
197 HA VAL 25 HA VAL 25 0.808 3.824 -0.602
198 HB VAL 25 HB VAL 25 3.215 2.926 -0.560
199 HG11 VAL 25 HG11 VAL 25 3.257 0.483 0.183
200 HG12 VAL 25 HG12 VAL 25 1.847 0.893 1.165
201 HG13 VAL 25 HG13 VAL 25 3.382 1.731 1.417
202 HG21 VAL 25 HG21 VAL 25 1.680 2.452 -2.372
203 HG22 VAL 25 HG22 VAL 25 0.970 1.124 -1.454
204 HG23 VAL 25 HG23 VAL 25 2.644 1.023 -1.999
205 H ARG 26 HN ARG 26 -0.616 2.011 -0.832
206 HA ARG 26 HA ARG 26 -1.757 1.132 1.739
207 HB2 ARG 26 HB2 ARG 26 -3.081 1.562 -0.947
208 HB3 ARG 26 HB1 ARG 26 -3.892 0.909 0.470
209 HG2 ARG 26 HG2 ARG 26 -2.720 3.666 0.183
210 HG3 ARG 26 HG1 ARG 26 -4.432 3.246 0.183
211 HD2 ARG 26 HD2 ARG 26 -3.986 2.234 2.492
212 HD3 ARG 26 HD1 ARG 26 -2.468 3.126 2.443
213 HE ARG 26 HE ARG 26 -5.076 4.178 2.929
214 HH11 ARG 26 HH11 ARG 26 -1.932 5.002 1.605
215 HH12 ARG 26 HH12 ARG 26 -2.121 6.698 1.900
216 HH21 ARG 26 HH21 ARG 26 -5.310 6.393 3.327
217 HH22 ARG 26 HH22 ARG 26 -4.033 7.489 2.899
218 H TYR 27 HN TYR 27 -1.499 -0.999 2.130
219 HA TYR 27 HA TYR 27 -1.485 -2.805 -0.192
220 HB2 TYR 27 HB2 TYR 27 -0.185 -4.316 1.626
221 HB3 TYR 27 HB1 TYR 27 0.614 -3.343 0.411
222 HD1 TYR 27 HD1 TYR 27 -0.904 -2.666 3.740
223 HD2 TYR 27 HD2 TYR 27 2.497 -2.312 1.232
224 HE1 TYR 27 HE1 TYR 27 0.282 -1.474 5.527
225 HE2 TYR 27 HE2 TYR 27 3.700 -1.129 3.019
226 HH TYR 27 HH TYR 27 2.532 -1.027 6.232
227 H CYS 28 HN CYS 28 -2.282 -4.899 0.163
228 HA CYS 28 HA CYS 28 -4.734 -4.856 1.571
229 HB2 CYS 28 HB2 CYS 28 -5.013 -7.144 0.707
230 HB3 CYS 28 HB1 CYS 28 -4.497 -6.038 -0.555
231 H SER 29 HN SER 29 -1.552 -6.158 2.245
232 HA SER 29 HA SER 29 -2.172 -6.709 4.959
233 HB2 SER 29 HB2 SER 29 -1.912 -9.107 3.121
234 HB3 SER 29 HB1 SER 29 -1.816 -9.191 4.877
235 HG SER 29 HG SER 29 -4.031 -7.847 4.107
236 H LEU 30 HN LEU 30 -0.283 -8.483 5.706
237 HA LEU 30 HA LEU 30 2.076 -6.958 5.618
238 HB2 LEU 30 HB2 LEU 30 1.430 -8.493 7.453
239 HB3 LEU 30 HB1 LEU 30 1.742 -9.853 6.400
240 HG LEU 30 HG LEU 30 4.129 -9.121 6.255
241 HD11 LEU 30 HD11 LEU 30 3.847 -6.779 6.830
242 HD12 LEU 30 HD12 LEU 30 4.951 -7.562 7.959
243 HD13 LEU 30 HD13 LEU 30 3.290 -7.223 8.441
244 HD21 LEU 30 HD21 LEU 30 4.723 -9.938 8.490
245 HD22 LEU 30 HD22 LEU 30 3.450 -10.910 7.751
246 HD23 LEU 30 HD23 LEU 30 3.048 -9.734 9.003
247 H LYS 31 HN LYS 31 0.981 -9.675 3.704
248 HA LYS 31 HA LYS 31 3.353 -10.590 2.618
249 HB2 LYS 31 HB2 LYS 31 0.663 -10.332 1.273
250 HB3 LYS 31 HB1 LYS 31 2.000 -11.290 0.655
251 HG2 LYS 31 HG2 LYS 31 0.558 -11.720 3.260
252 HG3 LYS 31 HG1 LYS 31 0.390 -12.692 1.798
253 HD2 LYS 31 HD2 LYS 31 2.899 -12.373 3.451
254 HD3 LYS 31 HD1 LYS 31 1.847 -13.787 3.420
255 HE2 LYS 31 HE2 LYS 31 2.352 -14.113 1.049
256 HE3 LYS 31 HE1 LYS 31 3.403 -12.698 1.076
257 HZ1 LYS 31 HZ1 LYS 31 4.766 -13.848 2.754
258 HZ2 LYS 31 HZ2 LYS 31 4.718 -14.670 1.279
259 HZ3 LYS 31 HZ3 LYS 31 3.798 -15.223 2.583
260 H CYS 32 HN CYS 32 1.367 -7.875 1.517
261 HA CYS 32 HA CYS 32 3.313 -7.228 -0.534
262 HB2 CYS 32 HB2 CYS 32 0.712 -5.915 0.265
263 HB3 CYS 32 HB1 CYS 32 1.742 -5.347 -1.044
264 H TYR 33 HN TYR 33 2.513 -6.321 2.687
265 HA TYR 33 HA TYR 33 3.632 -3.785 2.888
266 HB2 TYR 33 HB2 TYR 33 2.353 -5.029 4.678
267 HB3 TYR 33 HB1 TYR 33 3.806 -5.968 4.980
268 HD1 TYR 33 HD1 TYR 33 5.253 -3.009 4.305
269 HD2 TYR 33 HD2 TYR 33 2.648 -4.675 7.219
270 HE1 TYR 33 HE1 TYR 33 5.965 -1.286 5.912
271 HE2 TYR 33 HE2 TYR 33 3.365 -2.977 8.845
272 HH TYR 33 HH TYR 33 5.405 -1.516 9.206
273 H LYS 34 HN LYS 34 5.207 -6.921 3.571
274 HA LYS 34 HA LYS 34 7.787 -5.594 3.646
275 HB2 LYS 34 HB2 LYS 34 7.033 -8.477 4.115
276 HB3 LYS 34 HB1 LYS 34 8.657 -7.823 4.296
277 HG2 LYS 34 HG2 LYS 34 7.726 -6.237 5.997
278 HG3 LYS 34 HG1 LYS 34 6.216 -7.143 5.914
279 HD2 LYS 34 HD2 LYS 34 8.921 -8.234 6.692
280 HD3 LYS 34 HD1 LYS 34 7.582 -7.899 7.787
281 HE2 LYS 34 HE2 LYS 34 6.241 -9.609 6.728
282 HE3 LYS 34 HE1 LYS 34 7.497 -9.889 5.525
283 HZ1 LYS 34 HZ1 LYS 34 8.963 -10.674 7.249
284 HZ2 LYS 34 HZ2 LYS 34 7.514 -11.545 7.309
285 HZ3 LYS 34 HZ3 LYS 34 7.816 -10.328 8.442
286 H ASP 35 HN ASP 35 6.824 -5.315 1.174
287 HA ASP 35 HA ASP 35 8.430 -7.171 -0.439
288 HB2 ASP 35 HB2 ASP 35 6.093 -7.049 -1.150
289 HB3 ASP 35 HB1 ASP 35 6.178 -5.296 -1.225
290 H ALA 36 HN ALA 36 9.920 -6.224 -1.936
291 HA ALA 36 HA ALA 36 10.482 -3.373 -1.472
292 HB1 ALA 36 HB1 ALA 36 12.553 -5.557 -1.671
293 HB2 ALA 36 HB2 ALA 36 12.070 -4.725 -0.194
294 HB3 ALA 36 HB3 ALA 36 12.874 -3.833 -1.485
295 H ALA 37 HN ALA 37 9.582 -5.596 -3.638
296 HA ALA 37 HA ALA 37 11.189 -4.725 -5.891
297 HB1 ALA 37 HB1 ALA 37 8.824 -6.588 -5.719
298 HB2 ALA 37 HB2 ALA 37 10.523 -7.059 -5.751
299 HB3 ALA 37 HB3 ALA 37 9.791 -6.300 -7.165
300 H LYS 38 HN LYS 38 7.848 -4.593 -4.793
301 HA LYS 38 HA LYS 38 7.266 -2.493 -6.774
302 HB2 LYS 38 HB2 LYS 38 5.351 -4.264 -5.250
303 HB3 LYS 38 HB1 LYS 38 4.917 -3.097 -6.493
304 HG2 LYS 38 HG2 LYS 38 6.104 -4.391 -8.162
305 HG3 LYS 38 HG1 LYS 38 6.630 -5.535 -6.924
306 HD2 LYS 38 HD2 LYS 38 4.235 -6.004 -6.445
307 HD3 LYS 38 HD1 LYS 38 3.808 -4.995 -7.825
308 HE2 LYS 38 HE2 LYS 38 3.809 -7.340 -8.456
309 HE3 LYS 38 HE1 LYS 38 5.092 -6.473 -9.296
310 HZ1 LYS 38 HZ1 LYS 38 6.702 -7.379 -7.808
311 HZ2 LYS 38 HZ2 LYS 38 5.772 -8.656 -8.400
312 HZ3 LYS 38 HZ3 LYS 38 5.508 -8.079 -6.836
313 H HIS 39 HN HIS 39 7.127 -3.422 -3.391
314 HA HIS 39 HA HIS 39 6.095 -0.852 -2.551
315 HB2 HIS 39 HB2 HIS 39 5.660 -2.977 -1.282
316 HB3 HIS 39 HB1 HIS 39 7.371 -3.032 -0.876
317 HD1 HIS 39 HD1 HIS 39 7.339 -2.543 1.617
318 HD2 HIS 39 HD2 HIS 39 5.039 0.108 -0.604
319 HE1 HIS 39 HE1 HIS 39 6.586 -0.735 3.223
320 H VAL 40 HN VAL 40 7.500 0.706 -3.230
321 HA VAL 40 HA VAL 40 10.346 0.216 -3.072
322 HB VAL 40 HB VAL 40 8.856 2.573 -4.222
323 HG11 VAL 40 HG11 VAL 40 10.958 3.130 -5.317
324 HG12 VAL 40 HG12 VAL 40 11.748 1.772 -4.519
325 HG13 VAL 40 HG13 VAL 40 11.150 3.128 -3.565
326 HG21 VAL 40 HG21 VAL 40 10.119 0.203 -5.598
327 HG22 VAL 40 HG22 VAL 40 9.302 1.557 -6.383
328 HG23 VAL 40 HG23 VAL 40 8.387 0.445 -5.360
329 H HIS 41 HN HIS 41 11.557 0.764 -1.489
330 HA HIS 41 HA HIS 41 11.011 3.198 0.035
331 HB2 HIS 41 HB2 HIS 41 11.118 0.425 1.081
332 HB3 HIS 41 HB1 HIS 41 11.960 1.653 2.017
333 HD1 HIS 41 HD1 HIS 41 9.797 0.521 3.557
334 HD2 HIS 41 HD2 HIS 41 9.040 3.487 0.741
335 HE1 HIS 41 HE1 HIS 41 7.664 1.669 4.272
336 H LYS 42 HN LYS 42 12.867 3.710 1.484
337 HA LYS 42 HA LYS 42 15.422 2.526 0.753
338 HB2 LYS 42 HB2 LYS 42 16.494 4.729 0.526
339 HB3 LYS 42 HB1 LYS 42 15.255 4.496 -0.699
340 HG2 LYS 42 HG2 LYS 42 13.702 5.837 0.704
341 HG3 LYS 42 HG1 LYS 42 15.049 6.165 1.796
342 HD2 LYS 42 HD2 LYS 42 16.290 7.186 -0.056
343 HD3 LYS 42 HD1 LYS 42 14.930 6.875 -1.134
344 HE2 LYS 42 HE2 LYS 42 14.824 9.159 -0.437
345 HE3 LYS 42 HE1 LYS 42 13.515 8.282 0.351
346 HZ1 LYS 42 HZ1 LYS 42 16.116 8.957 1.616
347 HZ2 LYS 42 HZ2 LYS 42 14.803 8.198 2.371
348 HZ3 LYS 42 HZ3 LYS 42 14.670 9.801 1.857
349 H GLU 43 HN GLU 43 17.124 3.781 2.331
350 HA GLU 43 HA GLU 43 17.821 4.202 4.451
351 HB2 GLU 43 HB2 GLU 43 14.884 4.653 4.995
352 HB3 GLU 43 HB1 GLU 43 16.146 4.885 6.196
353 HG2 GLU 43 HG2 GLU 43 16.027 6.341 3.568
354 HG3 GLU 43 HG1 GLU 43 15.381 6.970 5.083
355 H SER 44 HN SER 44 14.729 2.469 4.893
356 HA SER 44 HA SER 44 15.957 0.638 6.753
357 HB2 SER 44 HB2 SER 44 13.182 0.537 5.545
358 HB3 SER 44 HB1 SER 44 13.735 -0.296 6.998
359 HG SER 44 HG SER 44 14.255 1.997 7.700
360 H GLU 45 HN GLU 45 17.433 0.306 4.664
361 HA GLU 45 HA GLU 45 16.400 -1.642 2.791
362 HB2 GLU 45 HB2 GLU 45 17.953 0.196 2.142
363 HB3 GLU 45 HB1 GLU 45 19.196 -0.547 3.134
364 HG2 GLU 45 HG2 GLU 45 19.203 -2.503 1.709
365 HG3 GLU 45 HG1 GLU 45 17.897 -1.821 0.738
366 H GLN 46 HN GLN 46 18.454 -1.532 5.614
367 HA GLN 46 HA GLN 46 18.926 -4.426 5.412
368 HB2 GLN 46 HB2 GLN 46 20.966 -3.140 5.613
369 HB3 GLN 46 HB1 GLN 46 20.335 -2.277 7.002
370 HG2 GLN 46 HG2 GLN 46 21.957 -3.930 7.685
371 HG3 GLN 46 HG1 GLN 46 20.359 -4.336 8.306
372 HE21 GLN 46 HE21 GLN 46 21.293 -4.851 4.983
373 HE22 GLN 46 HE22 GLN 46 21.318 -6.579 5.059
Start of MODEL 19
1 H1 GLY -2 HT1 GLY -2 -26.918 10.080 -1.051
2 H2 GLY -2 HT2 GLY -2 -27.669 8.702 -1.675
3 H3 GLY -2 HT3 GLY -2 -28.405 10.214 -1.844
4 HA2 GLY -2 HA1 GLY -2 -27.402 9.522 -3.919
5 HA3 GLY -2 HA2 GLY -2 -26.636 10.969 -3.278
6 HA PRO -1 HA PRO -1 -23.249 8.052 -4.447
7 HB2 PRO -1 HB2 PRO -1 -21.814 10.628 -4.671
8 HB3 PRO -1 HB1 PRO -1 -21.917 9.295 -5.824
9 HG2 PRO -1 HG2 PRO -1 -23.216 11.599 -6.234
10 HG3 PRO -1 HG1 PRO -1 -23.915 10.041 -6.712
11 HD2 PRO -1 HD2 PRO -1 -24.545 11.761 -4.348
12 HD3 PRO -1 HD1 PRO -1 -25.638 10.807 -5.373
13 H HIS 0 HN HIS 0 -21.875 7.212 -3.039
14 HA HIS 0 HA HIS 0 -20.873 8.877 -0.824
15 HB2 HIS 0 HB2 HIS 0 -21.762 5.992 -0.806
16 HB3 HIS 0 HB1 HIS 0 -20.709 6.648 0.438
17 HD1 HIS 0 HD1 HIS 0 -21.760 8.354 2.098
18 HD2 HIS 0 HD2 HIS 0 -24.438 6.699 -0.615
19 HE1 HIS 0 HE1 HIS 0 -24.046 8.891 2.993
20 HE2 HIS 0 HE2 HIS 0 -25.644 7.735 1.426
21 H MET 1 HN MET 1 -19.664 8.650 -3.322
22 HA MET 1 HA MET 1 -17.671 8.269 -4.335
23 HB2 MET 1 HB2 MET 1 -16.844 7.249 -1.609
24 HB3 MET 1 HB1 MET 1 -15.748 7.445 -2.968
25 HG2 MET 1 HG2 MET 1 -16.109 9.824 -2.976
26 HG3 MET 1 HG1 MET 1 -17.330 9.674 -1.715
27 HE1 MET 1 HE1 MET 1 -13.950 7.682 -1.945
28 HE2 MET 1 HE2 MET 1 -12.862 8.726 -1.029
29 HE3 MET 1 HE3 MET 1 -13.507 9.268 -2.575
30 H VAL 2 HN VAL 2 -17.860 6.793 -5.867
31 HA VAL 2 HA VAL 2 -18.689 4.147 -5.613
32 HB VAL 2 HB VAL 2 -16.841 5.345 -7.690
33 HG11 VAL 2 HG11 VAL 2 -18.420 2.777 -7.780
34 HG12 VAL 2 HG12 VAL 2 -16.667 2.912 -7.674
35 HG13 VAL 2 HG13 VAL 2 -17.507 3.471 -9.119
36 HG21 VAL 2 HG21 VAL 2 -19.029 6.441 -7.530
37 HG22 VAL 2 HG22 VAL 2 -19.820 4.880 -7.745
38 HG23 VAL 2 HG23 VAL 2 -18.847 5.562 -9.046
39 H SER 3 HN SER 3 -15.475 5.570 -5.472
40 HA SER 3 HA SER 3 -14.300 3.020 -4.708
41 HB2 SER 3 HB2 SER 3 -13.024 5.762 -4.895
42 HB3 SER 3 HB1 SER 3 -12.180 4.219 -4.749
43 HG SER 3 HG SER 3 -13.547 3.770 -6.794
44 H SER 4 HN SER 4 -15.845 3.006 -2.828
45 HA SER 4 HA SER 4 -15.549 4.868 -0.701
46 HB2 SER 4 HB2 SER 4 -16.673 2.054 -0.667
47 HB3 SER 4 HB1 SER 4 -16.869 3.248 0.615
48 HG SER 4 HG SER 4 -17.622 4.343 -1.707
49 H ALA 5 HN ALA 5 -13.922 1.934 -1.598
50 HA ALA 5 HA ALA 5 -12.229 2.174 0.795
51 HB1 ALA 5 HB1 ALA 5 -12.020 -0.264 0.854
52 HB2 ALA 5 HB2 ALA 5 -13.160 -0.395 -0.484
53 HB3 ALA 5 HB3 ALA 5 -13.698 0.236 1.072
54 H VAL 6 HN VAL 6 -10.114 1.554 0.556
55 HA VAL 6 HA VAL 6 -9.179 2.198 -2.102
56 HB VAL 6 HB VAL 6 -8.424 3.327 0.072
57 HG11 VAL 6 HG11 VAL 6 -6.736 0.843 0.235
58 HG12 VAL 6 HG12 VAL 6 -7.975 1.349 1.383
59 HG13 VAL 6 HG13 VAL 6 -6.504 2.305 1.193
60 HG21 VAL 6 HG21 VAL 6 -6.405 2.316 -1.900
61 HG22 VAL 6 HG22 VAL 6 -6.187 3.693 -0.818
62 HG23 VAL 6 HG23 VAL 6 -7.432 3.738 -2.067
63 H LYS 7 HN LYS 7 -7.603 0.955 -3.193
64 HA LYS 7 HA LYS 7 -7.736 -1.894 -2.491
65 HB2 LYS 7 HB2 LYS 7 -6.962 -0.652 -5.134
66 HB3 LYS 7 HB1 LYS 7 -7.260 -2.353 -4.813
67 HG2 LYS 7 HG2 LYS 7 -9.345 -0.206 -4.573
68 HG3 LYS 7 HG1 LYS 7 -9.102 -1.215 -5.999
69 HD2 LYS 7 HD2 LYS 7 -9.489 -3.217 -4.587
70 HD3 LYS 7 HD1 LYS 7 -9.859 -2.146 -3.232
71 HE2 LYS 7 HE2 LYS 7 -11.694 -1.167 -4.502
72 HE3 LYS 7 HE1 LYS 7 -11.312 -2.210 -5.869
73 HZ1 LYS 7 HZ1 LYS 7 -11.856 -4.128 -4.542
74 HZ2 LYS 7 HZ2 LYS 7 -13.161 -3.056 -4.535
75 HZ3 LYS 7 HZ3 LYS 7 -12.149 -3.161 -3.187
76 H CYS 8 HN CYS 8 -5.824 -3.198 -2.842
77 HA CYS 8 HA CYS 8 -3.506 -2.115 -1.662
78 HB2 CYS 8 HB2 CYS 8 -4.186 -4.528 -1.672
79 HB3 CYS 8 HB1 CYS 8 -3.717 -4.605 -3.358
80 H GLY 9 HN GLY 9 -2.109 -0.746 -2.569
81 HA2 GLY 9 HA2 GLY 9 -2.082 -0.365 -5.435
82 HA3 GLY 9 HA1 GLY 9 -1.173 0.555 -4.245
83 H ILE 10 HN ILE 10 -0.914 -2.857 -4.028
84 HA ILE 10 HA ILE 10 1.728 -2.715 -5.309
85 HB ILE 10 HB ILE 10 0.969 -4.419 -2.932
86 HG12 ILE 10 HG12 ILE 10 2.456 -1.802 -3.164
87 HG13 ILE 10 HG11 ILE 10 1.043 -2.165 -2.183
88 HG21 ILE 10 HG21 ILE 10 3.633 -3.955 -4.264
89 HG22 ILE 10 HG22 ILE 10 2.685 -5.439 -4.334
90 HG23 ILE 10 HG23 ILE 10 3.369 -4.900 -2.800
91 HD11 ILE 10 HD11 ILE 10 3.790 -3.290 -1.736
92 HD12 ILE 10 HD12 ILE 10 2.372 -3.542 -0.721
93 HD13 ILE 10 HD13 ILE 10 3.082 -1.935 -0.861
94 H CYS 11 HN CYS 11 -0.985 -4.896 -4.502
95 HA CYS 11 HA CYS 11 -0.120 -6.546 -6.778
96 HB2 CYS 11 HB2 CYS 11 -1.242 -8.439 -5.786
97 HB3 CYS 11 HB1 CYS 11 -0.165 -7.719 -4.597
98 H ARG 12 HN ARG 12 -2.432 -4.406 -5.664
99 HA ARG 12 HA ARG 12 -4.375 -3.590 -6.439
100 HB2 ARG 12 HB2 ARG 12 -3.176 -4.675 -8.980
101 HB3 ARG 12 HB1 ARG 12 -4.677 -3.758 -8.966
102 HG2 ARG 12 HG2 ARG 12 -2.059 -2.735 -7.882
103 HG3 ARG 12 HG1 ARG 12 -2.670 -2.402 -9.505
104 HD2 ARG 12 HD2 ARG 12 -4.601 -1.289 -8.603
105 HD3 ARG 12 HD1 ARG 12 -4.148 -1.740 -6.963
106 HE ARG 12 HE ARG 12 -2.140 -0.177 -8.287
107 HH11 ARG 12 HH11 ARG 12 -5.173 -0.018 -6.549
108 HH12 ARG 12 HH12 ARG 12 -4.877 1.567 -5.909
109 HH21 ARG 12 HH21 ARG 12 -1.751 1.932 -7.461
110 HH22 ARG 12 HH22 ARG 12 -2.942 2.681 -6.439
111 H GLY 13 HN GLY 13 -4.432 -6.261 -5.341
112 HA2 GLY 13 HA2 GLY 13 -6.461 -7.614 -6.955
113 HA3 GLY 13 HA1 GLY 13 -5.622 -8.287 -5.567
114 H VAL 14 HN VAL 14 -6.102 -7.074 -3.459
115 HA VAL 14 HA VAL 14 -9.006 -6.632 -3.372
116 HB VAL 14 HB VAL 14 -9.060 -7.552 -1.140
117 HG11 VAL 14 HG11 VAL 14 -9.266 -9.131 -2.977
118 HG12 VAL 14 HG12 VAL 14 -8.440 -9.874 -1.606
119 HG13 VAL 14 HG13 VAL 14 -7.515 -9.339 -3.007
120 HG21 VAL 14 HG21 VAL 14 -6.867 -6.791 -0.373
121 HG22 VAL 14 HG22 VAL 14 -6.090 -7.983 -1.416
122 HG23 VAL 14 HG23 VAL 14 -7.097 -8.513 -0.069
123 H ASP 15 HN ASP 15 -9.280 -5.687 -0.835
124 HA ASP 15 HA ASP 15 -8.711 -2.959 -1.166
125 HB2 ASP 15 HB2 ASP 15 -9.676 -2.652 1.034
126 HB3 ASP 15 HB1 ASP 15 -10.625 -3.836 0.144
127 H GLY 16 HN GLY 16 -7.294 -1.589 -0.183
128 HA2 GLY 16 HA2 GLY 16 -4.878 -2.793 0.939
129 HA3 GLY 16 HA1 GLY 16 -5.071 -1.120 0.429
130 H LYS 17 HN LYS 17 -6.401 -3.385 2.796
131 HA LYS 17 HA LYS 17 -7.416 -1.531 4.586
132 HB2 LYS 17 HB2 LYS 17 -7.154 -3.404 6.278
133 HB3 LYS 17 HB1 LYS 17 -8.098 -3.758 4.838
134 HG2 LYS 17 HG2 LYS 17 -6.241 -4.937 3.858
135 HG3 LYS 17 HG1 LYS 17 -5.207 -4.503 5.223
136 HD2 LYS 17 HD2 LYS 17 -5.953 -6.750 5.536
137 HD3 LYS 17 HD1 LYS 17 -6.781 -5.724 6.707
138 HE2 LYS 17 HE2 LYS 17 -8.268 -7.398 5.648
139 HE3 LYS 17 HE1 LYS 17 -8.786 -5.735 5.385
140 HZ1 LYS 17 HZ1 LYS 17 -8.033 -5.789 3.174
141 HZ2 LYS 17 HZ2 LYS 17 -8.857 -7.248 3.396
142 HZ3 LYS 17 HZ3 LYS 17 -7.167 -7.226 3.405
143 H TYR 18 HN TYR 18 -4.150 -2.771 4.288
144 HA TYR 18 HA TYR 18 -3.337 -1.380 6.728
145 HB2 TYR 18 HB2 TYR 18 -1.960 -3.371 4.934
146 HB3 TYR 18 HB1 TYR 18 -1.102 -2.517 6.205
147 HD1 TYR 18 HD1 TYR 18 -4.548 -3.471 6.819
148 HD2 TYR 18 HD2 TYR 18 -0.500 -4.727 7.139
149 HE1 TYR 18 HE1 TYR 18 -5.225 -5.253 8.346
150 HE2 TYR 18 HE2 TYR 18 -1.171 -6.514 8.689
151 HH TYR 18 HH TYR 18 -4.465 -7.376 9.158
152 H LYS 19 HN LYS 19 -1.612 0.175 6.687
153 HA LYS 19 HA LYS 19 -1.125 1.381 4.054
154 HB2 LYS 19 HB2 LYS 19 -3.056 2.449 5.362
155 HB3 LYS 19 HB1 LYS 19 -1.832 3.021 6.483
156 HG2 LYS 19 HG2 LYS 19 -1.587 3.631 3.570
157 HG3 LYS 19 HG1 LYS 19 -2.681 4.564 4.581
158 HD2 LYS 19 HD2 LYS 19 -0.698 4.956 6.115
159 HD3 LYS 19 HD1 LYS 19 0.300 4.293 4.814
160 HE2 LYS 19 HE2 LYS 19 -0.433 6.017 3.307
161 HE3 LYS 19 HE1 LYS 19 -1.578 6.631 4.499
162 HZ1 LYS 19 HZ1 LYS 19 0.413 7.979 4.428
163 HZ2 LYS 19 HZ2 LYS 19 1.381 6.639 4.773
164 HZ3 LYS 19 HZ3 LYS 19 0.286 7.210 5.926
165 H CYS 20 HN CYS 20 0.807 2.474 3.829
166 HA CYS 20 HA CYS 20 2.798 1.854 5.896
167 HB2 CYS 20 HB2 CYS 20 3.149 1.103 3.522
168 HB3 CYS 20 HB1 CYS 20 3.272 2.792 3.059
169 HA PRO 21 HA PRO 21 2.249 6.205 6.941
170 HB2 PRO 21 HB2 PRO 21 3.876 6.156 9.126
171 HB3 PRO 21 HB1 PRO 21 2.205 5.585 9.140
172 HG2 PRO 21 HG2 PRO 21 4.739 4.010 8.870
173 HG3 PRO 21 HG1 PRO 21 3.310 3.665 9.864
174 HD2 PRO 21 HD2 PRO 21 3.720 2.429 7.513
175 HD3 PRO 21 HD1 PRO 21 2.094 2.873 8.061
176 H LYS 22 HN LYS 22 5.076 4.612 5.928
177 HA LYS 22 HA LYS 22 6.801 6.913 6.218
178 HB2 LYS 22 HB2 LYS 22 7.280 4.326 4.741
179 HB3 LYS 22 HB1 LYS 22 8.490 5.549 5.093
180 HG2 LYS 22 HG2 LYS 22 7.028 3.826 7.069
181 HG3 LYS 22 HG1 LYS 22 8.734 3.736 6.630
182 HD2 LYS 22 HD2 LYS 22 8.845 6.179 7.445
183 HD3 LYS 22 HD1 LYS 22 7.302 5.833 8.228
184 HE2 LYS 22 HE2 LYS 22 9.942 4.464 8.682
185 HE3 LYS 22 HE1 LYS 22 9.044 5.463 9.819
186 HZ1 LYS 22 HZ1 LYS 22 8.754 3.159 10.356
187 HZ2 LYS 22 HZ2 LYS 22 8.233 2.802 8.792
188 HZ3 LYS 22 HZ3 LYS 22 7.282 3.773 9.796
189 H CYS 23 HN CYS 23 5.702 5.000 3.417
190 HA CYS 23 HA CYS 23 6.500 7.205 1.683
191 HB2 CYS 23 HB2 CYS 23 6.330 5.557 -0.122
192 HB3 CYS 23 HB1 CYS 23 7.296 4.923 1.198
193 H GLY 24 HN GLY 24 3.686 5.397 2.709
194 HA2 GLY 24 HA2 GLY 24 1.569 6.504 2.859
195 HA3 GLY 24 HA1 GLY 24 1.999 7.444 1.440
196 H VAL 25 HN VAL 25 2.699 4.080 1.467
197 HA VAL 25 HA VAL 25 0.887 3.733 -0.767
198 HB VAL 25 HB VAL 25 3.319 2.902 -0.670
199 HG11 VAL 25 HG11 VAL 25 3.472 1.772 1.356
200 HG12 VAL 25 HG12 VAL 25 3.426 0.491 0.146
201 HG13 VAL 25 HG13 VAL 25 1.978 0.872 1.081
202 HG21 VAL 25 HG21 VAL 25 2.809 0.954 -2.068
203 HG22 VAL 25 HG22 VAL 25 1.806 2.345 -2.483
204 HG23 VAL 25 HG23 VAL 25 1.128 1.020 -1.536
205 H ARG 26 HN ARG 26 -0.499 1.870 -0.909
206 HA ARG 26 HA ARG 26 -1.590 1.029 1.687
207 HB2 ARG 26 HB2 ARG 26 -2.920 1.725 -0.917
208 HB3 ARG 26 HB1 ARG 26 -3.703 0.619 0.203
209 HG2 ARG 26 HG2 ARG 26 -2.799 3.381 0.967
210 HG3 ARG 26 HG1 ARG 26 -4.422 3.006 0.377
211 HD2 ARG 26 HD2 ARG 26 -4.673 1.381 2.219
212 HD3 ARG 26 HD1 ARG 26 -3.092 1.861 2.830
213 HE ARG 26 HE ARG 26 -4.363 4.205 2.775
214 HH11 ARG 26 HH11 ARG 26 -5.411 1.071 3.931
215 HH12 ARG 26 HH12 ARG 26 -6.380 1.726 5.215
216 HH21 ARG 26 HH21 ARG 26 -5.646 5.069 4.464
217 HH22 ARG 26 HH22 ARG 26 -6.517 3.999 5.511
218 H TYR 27 HN TYR 27 -1.589 -1.101 2.079
219 HA TYR 27 HA TYR 27 -1.431 -2.925 -0.210
220 HB2 TYR 27 HB2 TYR 27 -0.036 -4.354 1.611
221 HB3 TYR 27 HB1 TYR 27 0.701 -3.365 0.367
222 HD1 TYR 27 HD1 TYR 27 -0.791 -2.697 3.711
223 HD2 TYR 27 HD2 TYR 27 2.551 -2.232 1.143
224 HE1 TYR 27 HE1 TYR 27 0.364 -1.416 5.457
225 HE2 TYR 27 HE2 TYR 27 3.720 -0.957 2.890
226 HH TYR 27 HH TYR 27 2.516 -0.791 6.126
227 H CYS 28 HN CYS 28 -2.237 -4.977 0.119
228 HA CYS 28 HA CYS 28 -4.678 -4.950 1.544
229 HB2 CYS 28 HB2 CYS 28 -4.993 -7.198 0.596
230 HB3 CYS 28 HB1 CYS 28 -4.465 -6.046 -0.623
231 H SER 29 HN SER 29 -1.518 -5.974 2.375
232 HA SER 29 HA SER 29 -2.216 -6.701 4.991
233 HB2 SER 29 HB2 SER 29 -3.165 -8.700 3.769
234 HB3 SER 29 HB1 SER 29 -1.532 -9.090 3.247
235 HG SER 29 HG SER 29 -2.626 -9.922 5.404
236 H LEU 30 HN LEU 30 -0.262 -8.375 5.743
237 HA LEU 30 HA LEU 30 2.063 -6.747 5.607
238 HB2 LEU 30 HB2 LEU 30 1.375 -8.121 7.568
239 HB3 LEU 30 HB1 LEU 30 1.769 -9.561 6.653
240 HG LEU 30 HG LEU 30 4.128 -8.791 6.532
241 HD11 LEU 30 HD11 LEU 30 3.747 -6.402 6.796
242 HD12 LEU 30 HD12 LEU 30 4.862 -7.004 8.019
243 HD13 LEU 30 HD13 LEU 30 3.186 -6.665 8.446
244 HD21 LEU 30 HD21 LEU 30 3.043 -9.008 9.334
245 HD22 LEU 30 HD22 LEU 30 4.688 -9.364 8.809
246 HD23 LEU 30 HD23 LEU 30 3.350 -10.369 8.256
247 H LYS 31 HN LYS 31 0.853 -9.319 3.709
248 HA LYS 31 HA LYS 31 3.234 -10.492 2.780
249 HB2 LYS 31 HB2 LYS 31 0.594 -10.180 1.340
250 HB3 LYS 31 HB1 LYS 31 1.880 -11.287 0.880
251 HG2 LYS 31 HG2 LYS 31 0.332 -11.365 3.463
252 HG3 LYS 31 HG1 LYS 31 0.089 -12.430 2.075
253 HD2 LYS 31 HD2 LYS 31 2.382 -13.268 2.333
254 HD3 LYS 31 HD1 LYS 31 2.605 -12.216 3.731
255 HE2 LYS 31 HE2 LYS 31 0.744 -13.379 4.859
256 HE3 LYS 31 HE1 LYS 31 0.614 -14.465 3.477
257 HZ1 LYS 31 HZ1 LYS 31 2.987 -14.169 5.237
258 HZ2 LYS 31 HZ2 LYS 31 2.883 -15.199 3.899
259 HZ3 LYS 31 HZ3 LYS 31 1.899 -15.464 5.246
260 H CYS 32 HN CYS 32 1.280 -7.873 1.366
261 HA CYS 32 HA CYS 32 3.305 -7.306 -0.603
262 HB2 CYS 32 HB2 CYS 32 0.732 -5.888 0.111
263 HB3 CYS 32 HB1 CYS 32 1.802 -5.382 -1.191
264 H TYR 33 HN TYR 33 2.553 -6.314 2.591
265 HA TYR 33 HA TYR 33 3.754 -3.797 2.720
266 HB2 TYR 33 HB2 TYR 33 2.402 -4.987 4.520
267 HB3 TYR 33 HB1 TYR 33 3.861 -5.893 4.896
268 HD1 TYR 33 HD1 TYR 33 5.367 -3.021 4.132
269 HD2 TYR 33 HD2 TYR 33 2.564 -4.433 7.002
270 HE1 TYR 33 HE1 TYR 33 6.028 -1.207 5.663
271 HE2 TYR 33 HE2 TYR 33 3.236 -2.643 8.548
272 HH TYR 33 HH TYR 33 5.168 0.002 7.568
273 H LYS 34 HN LYS 34 5.181 -6.958 3.582
274 HA LYS 34 HA LYS 34 7.825 -5.783 3.537
275 HB2 LYS 34 HB2 LYS 34 6.920 -8.605 4.113
276 HB3 LYS 34 HB1 LYS 34 8.583 -8.044 4.241
277 HG2 LYS 34 HG2 LYS 34 7.825 -6.373 5.920
278 HG3 LYS 34 HG1 LYS 34 6.223 -7.108 5.861
279 HD2 LYS 34 HD2 LYS 34 8.782 -8.501 6.656
280 HD3 LYS 34 HD1 LYS 34 7.527 -7.939 7.760
281 HE2 LYS 34 HE2 LYS 34 5.928 -9.458 6.633
282 HE3 LYS 34 HE1 LYS 34 7.249 -10.065 5.641
283 HZ1 LYS 34 HZ1 LYS 34 7.075 -10.239 8.599
284 HZ2 LYS 34 HZ2 LYS 34 8.363 -10.802 7.662
285 HZ3 LYS 34 HZ3 LYS 34 6.838 -11.515 7.514
286 H ASP 35 HN ASP 35 6.908 -5.448 1.126
287 HA ASP 35 HA ASP 35 8.280 -7.446 -0.532
288 HB2 ASP 35 HB2 ASP 35 5.982 -7.139 -1.211
289 HB3 ASP 35 HB1 ASP 35 6.166 -5.391 -1.212
290 H ALA 36 HN ALA 36 9.791 -6.690 -2.069
291 HA ALA 36 HA ALA 36 10.709 -3.922 -1.664
292 HB1 ALA 36 HB1 ALA 36 12.470 -6.343 -2.010
293 HB2 ALA 36 HB2 ALA 36 12.181 -5.490 -0.495
294 HB3 ALA 36 HB3 ALA 36 13.014 -4.676 -1.819
295 H ALA 37 HN ALA 37 9.162 -5.585 -3.805
296 HA ALA 37 HA ALA 37 10.859 -4.949 -6.124
297 HB1 ALA 37 HB1 ALA 37 9.266 -6.337 -7.405
298 HB2 ALA 37 HB2 ALA 37 8.367 -6.643 -5.917
299 HB3 ALA 37 HB3 ALA 37 10.023 -7.225 -6.083
300 H LYS 38 HN LYS 38 7.727 -4.395 -4.673
301 HA LYS 38 HA LYS 38 7.282 -2.170 -6.553
302 HB2 LYS 38 HB2 LYS 38 5.264 -3.875 -5.108
303 HB3 LYS 38 HB1 LYS 38 4.873 -2.489 -6.117
304 HG2 LYS 38 HG2 LYS 38 5.732 -3.612 -8.065
305 HG3 LYS 38 HG1 LYS 38 6.283 -4.970 -7.078
306 HD2 LYS 38 HD2 LYS 38 3.965 -5.410 -6.425
307 HD3 LYS 38 HD1 LYS 38 3.428 -4.078 -7.446
308 HE2 LYS 38 HE2 LYS 38 4.330 -5.230 -9.406
309 HE3 LYS 38 HE1 LYS 38 4.850 -6.566 -8.381
310 HZ1 LYS 38 HZ1 LYS 38 2.038 -5.679 -8.708
311 HZ2 LYS 38 HZ2 LYS 38 2.570 -7.017 -7.824
312 HZ3 LYS 38 HZ3 LYS 38 2.731 -6.999 -9.505
313 H HIS 39 HN HIS 39 7.168 -3.297 -3.230
314 HA HIS 39 HA HIS 39 6.428 -0.676 -2.231
315 HB2 HIS 39 HB2 HIS 39 5.762 -2.859 -1.102
316 HB3 HIS 39 HB1 HIS 39 7.446 -3.019 -0.608
317 HD1 HIS 39 HD1 HIS 39 7.326 -2.533 1.900
318 HD2 HIS 39 HD2 HIS 39 5.261 0.224 -0.424
319 HE1 HIS 39 HE1 HIS 39 6.598 -0.675 3.463
320 H VAL 40 HN VAL 40 7.997 0.760 -2.755
321 HA VAL 40 HA VAL 40 10.787 -0.032 -2.398
322 HB VAL 40 HB VAL 40 9.708 2.438 -3.754
323 HG11 VAL 40 HG11 VAL 40 12.450 1.181 -3.774
324 HG12 VAL 40 HG12 VAL 40 11.999 2.702 -3.005
325 HG13 VAL 40 HG13 VAL 40 11.951 2.553 -4.761
326 HG21 VAL 40 HG21 VAL 40 10.574 -0.195 -4.944
327 HG22 VAL 40 HG22 VAL 40 10.205 1.262 -5.863
328 HG23 VAL 40 HG23 VAL 40 8.939 0.464 -4.930
329 H HIS 41 HN HIS 41 11.820 0.489 -0.658
330 HA HIS 41 HA HIS 41 11.433 3.151 0.516
331 HB2 HIS 41 HB2 HIS 41 11.366 0.509 1.900
332 HB3 HIS 41 HB1 HIS 41 12.114 1.863 2.728
333 HD1 HIS 41 HD1 HIS 41 9.834 0.881 4.202
334 HD2 HIS 41 HD2 HIS 41 9.260 3.462 0.991
335 HE1 HIS 41 HE1 HIS 41 7.632 2.056 4.595
336 H LYS 42 HN LYS 42 13.275 3.054 -1.216
337 HA LYS 42 HA LYS 42 15.465 3.336 -1.688
338 HB2 LYS 42 HB2 LYS 42 15.771 3.108 1.305
339 HB3 LYS 42 HB1 LYS 42 17.113 3.427 0.223
340 HG2 LYS 42 HG2 LYS 42 14.688 5.167 0.607
341 HG3 LYS 42 HG1 LYS 42 16.308 5.475 1.231
342 HD2 LYS 42 HD2 LYS 42 15.456 5.402 -1.666
343 HD3 LYS 42 HD1 LYS 42 15.947 6.819 -0.739
344 HE2 LYS 42 HE2 LYS 42 17.681 4.473 -1.513
345 HE3 LYS 42 HE1 LYS 42 17.755 6.102 -2.179
346 HZ1 LYS 42 HZ1 LYS 42 18.386 6.908 0.030
347 HZ2 LYS 42 HZ2 LYS 42 19.492 5.779 -0.568
348 HZ3 LYS 42 HZ3 LYS 42 18.381 5.320 0.617
349 H GLU 43 HN GLU 43 16.911 2.027 -2.553
350 HA GLU 43 HA GLU 43 16.876 -0.791 -1.854
351 HB2 GLU 43 HB2 GLU 43 18.210 0.772 -4.071
352 HB3 GLU 43 HB1 GLU 43 18.409 -0.960 -3.858
353 HG2 GLU 43 HG2 GLU 43 15.821 0.480 -4.381
354 HG3 GLU 43 HG1 GLU 43 16.733 -0.486 -5.540
355 H SER 44 HN SER 44 19.594 -1.319 -2.684
356 HA SER 44 HA SER 44 20.952 -1.320 -0.297
357 HB2 SER 44 HB2 SER 44 23.023 -1.602 -1.775
358 HB3 SER 44 HB1 SER 44 21.714 -2.762 -2.010
359 HG SER 44 HG SER 44 22.459 -1.956 -4.004
360 H GLU 45 HN GLU 45 21.202 1.021 -2.918
361 HA GLU 45 HA GLU 45 21.905 3.054 -0.957
362 HB2 GLU 45 HB2 GLU 45 24.064 2.285 -1.864
363 HB3 GLU 45 HB1 GLU 45 23.490 2.601 -3.494
364 HG2 GLU 45 HG2 GLU 45 23.232 4.987 -2.883
365 HG3 GLU 45 HG1 GLU 45 23.968 4.623 -1.324
366 H GLN 46 HN GLN 46 21.344 2.350 -4.364
367 HA GLN 46 HA GLN 46 20.202 3.391 -6.019
368 HB2 GLN 46 HB2 GLN 46 18.310 2.833 -4.509
369 HB3 GLN 46 HB1 GLN 46 18.474 4.412 -3.757
370 HG2 GLN 46 HG2 GLN 46 17.945 5.485 -5.880
371 HG3 GLN 46 HG1 GLN 46 17.796 3.906 -6.645
372 HE21 GLN 46 HE21 GLN 46 16.001 2.642 -6.229
373 HE22 GLN 46 HE22 GLN 46 14.581 3.277 -5.468
Start of MODEL 20
1 H1 GLY -2 HT1 GLY -2 -25.689 5.474 13.918
2 H2 GLY -2 HT2 GLY -2 -25.480 7.143 14.057
3 H3 GLY -2 HT3 GLY -2 -24.137 6.137 13.844
4 HA2 GLY -2 HA1 GLY -2 -26.297 6.606 11.869
5 HA3 GLY -2 HA2 GLY -2 -24.666 7.259 11.787
6 HA PRO -1 HA PRO -1 -24.860 3.047 9.699
7 HB2 PRO -1 HB2 PRO -1 -24.580 3.808 7.127
8 HB3 PRO -1 HB1 PRO -1 -26.160 3.714 7.913
9 HG2 PRO -1 HG2 PRO -1 -24.455 6.103 7.361
10 HG3 PRO -1 HG1 PRO -1 -26.214 5.924 7.222
11 HD2 PRO -1 HD2 PRO -1 -24.954 7.118 9.347
12 HD3 PRO -1 HD1 PRO -1 -26.549 6.351 9.444
13 H HIS 0 HN HIS 0 -22.992 1.967 9.505
14 HA HIS 0 HA HIS 0 -20.511 3.435 9.548
15 HB2 HIS 0 HB2 HIS 0 -20.854 1.397 10.934
16 HB3 HIS 0 HB1 HIS 0 -20.958 0.442 9.460
17 HD1 HIS 0 HD1 HIS 0 -18.774 -0.242 8.350
18 HD2 HIS 0 HD2 HIS 0 -18.250 2.428 11.496
19 HE1 HIS 0 HE1 HIS 0 -16.299 -0.173 8.777
20 HE2 HIS 0 HE2 HIS 0 -16.033 1.293 10.807
21 H MET 1 HN MET 1 -19.224 3.840 7.867
22 HA MET 1 HA MET 1 -19.450 2.258 5.435
23 HB2 MET 1 HB2 MET 1 -19.725 4.238 4.017
24 HB3 MET 1 HB1 MET 1 -21.088 4.042 5.108
25 HG2 MET 1 HG2 MET 1 -20.088 5.748 6.595
26 HG3 MET 1 HG1 MET 1 -18.812 5.988 5.404
27 HE1 MET 1 HE1 MET 1 -20.524 5.626 2.689
28 HE2 MET 1 HE2 MET 1 -19.291 6.869 2.903
29 HE3 MET 1 HE3 MET 1 -20.897 7.310 2.325
30 H VAL 2 HN VAL 2 -17.550 2.023 4.422
31 HA VAL 2 HA VAL 2 -15.241 3.417 5.499
32 HB VAL 2 HB VAL 2 -13.964 1.908 3.875
33 HG11 VAL 2 HG11 VAL 2 -14.153 -0.033 5.356
34 HG12 VAL 2 HG12 VAL 2 -15.635 0.635 6.042
35 HG13 VAL 2 HG13 VAL 2 -14.101 1.475 6.271
36 HG21 VAL 2 HG21 VAL 2 -15.133 -0.089 3.095
37 HG22 VAL 2 HG22 VAL 2 -15.840 1.367 2.396
38 HG23 VAL 2 HG23 VAL 2 -16.653 0.543 3.726
39 H SER 3 HN SER 3 -16.112 5.435 4.673
40 HA SER 3 HA SER 3 -16.529 6.141 2.047
41 HB2 SER 3 HB2 SER 3 -15.191 7.896 4.111
42 HB3 SER 3 HB1 SER 3 -16.182 8.413 2.747
43 HG SER 3 HG SER 3 -16.945 7.680 5.227
44 H SER 4 HN SER 4 -15.305 6.294 0.306
45 HA SER 4 HA SER 4 -13.539 6.247 -1.096
46 HB2 SER 4 HB2 SER 4 -12.129 7.675 1.171
47 HB3 SER 4 HB1 SER 4 -11.530 7.551 -0.482
48 HG SER 4 HG SER 4 -14.023 8.714 0.242
49 H ALA 5 HN ALA 5 -13.578 3.928 -0.858
50 HA ALA 5 HA ALA 5 -11.653 2.681 0.892
51 HB1 ALA 5 HB1 ALA 5 -13.723 1.490 0.390
52 HB2 ALA 5 HB2 ALA 5 -12.332 0.578 -0.201
53 HB3 ALA 5 HB3 ALA 5 -13.328 1.501 -1.328
54 H VAL 6 HN VAL 6 -10.109 1.089 -0.115
55 HA VAL 6 HA VAL 6 -8.817 2.304 -2.423
56 HB VAL 6 HB VAL 6 -8.118 3.373 -0.206
57 HG11 VAL 6 HG11 VAL 6 -7.902 1.353 1.116
58 HG12 VAL 6 HG12 VAL 6 -6.371 2.225 1.050
59 HG13 VAL 6 HG13 VAL 6 -6.608 0.784 0.061
60 HG21 VAL 6 HG21 VAL 6 -6.956 3.711 -2.275
61 HG22 VAL 6 HG22 VAL 6 -6.039 2.223 -2.035
62 HG23 VAL 6 HG23 VAL 6 -5.811 3.588 -0.942
63 H LYS 7 HN LYS 7 -7.338 0.942 -3.461
64 HA LYS 7 HA LYS 7 -7.554 -1.880 -2.656
65 HB2 LYS 7 HB2 LYS 7 -6.765 -0.782 -5.355
66 HB3 LYS 7 HB1 LYS 7 -7.110 -2.456 -4.951
67 HG2 LYS 7 HG2 LYS 7 -9.139 -0.246 -4.786
68 HG3 LYS 7 HG1 LYS 7 -8.912 -1.272 -6.201
69 HD2 LYS 7 HD2 LYS 7 -9.501 -2.356 -3.460
70 HD3 LYS 7 HD1 LYS 7 -10.762 -1.950 -4.622
71 HE2 LYS 7 HE2 LYS 7 -9.679 -3.518 -6.232
72 HE3 LYS 7 HE1 LYS 7 -8.574 -3.999 -4.946
73 HZ1 LYS 7 HZ1 LYS 7 -10.497 -4.714 -3.642
74 HZ2 LYS 7 HZ2 LYS 7 -10.406 -5.541 -5.112
75 HZ3 LYS 7 HZ3 LYS 7 -11.529 -4.296 -4.912
76 H CYS 8 HN CYS 8 -5.688 -3.216 -2.814
77 HA CYS 8 HA CYS 8 -3.351 -2.128 -1.724
78 HB2 CYS 8 HB2 CYS 8 -4.074 -4.520 -1.618
79 HB3 CYS 8 HB1 CYS 8 -3.614 -4.694 -3.300
80 H GLY 9 HN GLY 9 -2.057 -0.709 -2.718
81 HA2 GLY 9 HA2 GLY 9 -1.929 -0.499 -5.579
82 HA3 GLY 9 HA1 GLY 9 -1.031 0.466 -4.416
83 H ILE 10 HN ILE 10 -0.802 -2.928 -4.081
84 HA ILE 10 HA ILE 10 1.881 -2.853 -5.284
85 HB ILE 10 HB ILE 10 1.076 -4.510 -2.893
86 HG12 ILE 10 HG12 ILE 10 2.386 -1.793 -3.082
87 HG13 ILE 10 HG11 ILE 10 0.939 -2.235 -2.184
88 HG21 ILE 10 HG21 ILE 10 3.829 -3.770 -3.830
89 HG22 ILE 10 HG22 ILE 10 3.008 -5.231 -4.380
90 HG23 ILE 10 HG23 ILE 10 3.374 -5.013 -2.665
91 HD11 ILE 10 HD11 ILE 10 2.875 -1.860 -0.742
92 HD12 ILE 10 HD12 ILE 10 3.716 -3.179 -1.556
93 HD13 ILE 10 HD13 ILE 10 2.262 -3.507 -0.623
94 H CYS 11 HN CYS 11 -1.013 -4.808 -4.680
95 HA CYS 11 HA CYS 11 -0.073 -6.610 -6.808
96 HB2 CYS 11 HB2 CYS 11 -1.089 -8.508 -5.741
97 HB3 CYS 11 HB1 CYS 11 -0.041 -7.715 -4.570
98 H ARG 12 HN ARG 12 -2.468 -4.520 -5.703
99 HA ARG 12 HA ARG 12 -4.480 -3.844 -6.442
100 HB2 ARG 12 HB2 ARG 12 -3.449 -5.109 -8.974
101 HB3 ARG 12 HB1 ARG 12 -4.984 -4.255 -8.897
102 HG2 ARG 12 HG2 ARG 12 -3.478 -2.670 -9.695
103 HG3 ARG 12 HG1 ARG 12 -3.644 -2.289 -7.982
104 HD2 ARG 12 HD2 ARG 12 -1.574 -3.551 -7.535
105 HD3 ARG 12 HD1 ARG 12 -1.399 -3.831 -9.267
106 HE ARG 12 HE ARG 12 -1.613 -1.053 -8.501
107 HH11 ARG 12 HH11 ARG 12 0.524 -3.755 -9.115
108 HH12 ARG 12 HH12 ARG 12 1.909 -2.757 -9.419
109 HH21 ARG 12 HH21 ARG 12 0.223 0.268 -8.902
110 HH22 ARG 12 HH22 ARG 12 1.739 -0.477 -9.295
111 H GLY 13 HN GLY 13 -4.283 -6.456 -5.152
112 HA2 GLY 13 HA2 GLY 13 -6.282 -8.093 -6.458
113 HA3 GLY 13 HA1 GLY 13 -5.492 -8.429 -4.924
114 H VAL 14 HN VAL 14 -6.172 -7.109 -3.068
115 HA VAL 14 HA VAL 14 -9.043 -6.524 -3.265
116 HB VAL 14 HB VAL 14 -9.295 -7.241 -0.954
117 HG11 VAL 14 HG11 VAL 14 -7.805 -9.279 -2.598
118 HG12 VAL 14 HG12 VAL 14 -9.530 -8.924 -2.701
119 HG13 VAL 14 HG13 VAL 14 -8.860 -9.632 -1.230
120 HG21 VAL 14 HG21 VAL 14 -7.117 -6.603 -0.088
121 HG22 VAL 14 HG22 VAL 14 -6.345 -7.860 -1.056
122 HG23 VAL 14 HG23 VAL 14 -7.437 -8.304 0.257
123 H ASP 15 HN ASP 15 -9.527 -5.308 -0.922
124 HA ASP 15 HA ASP 15 -8.638 -2.696 -1.248
125 HB2 ASP 15 HB2 ASP 15 -9.617 -2.264 0.964
126 HB3 ASP 15 HB1 ASP 15 -10.679 -3.259 -0.023
127 H GLY 16 HN GLY 16 -7.112 -1.453 -0.293
128 HA2 GLY 16 HA2 GLY 16 -4.859 -2.821 0.935
129 HA3 GLY 16 HA1 GLY 16 -4.924 -1.126 0.462
130 H LYS 17 HN LYS 17 -6.363 -3.388 2.755
131 HA LYS 17 HA LYS 17 -7.417 -1.519 4.527
132 HB2 LYS 17 HB2 LYS 17 -7.185 -3.481 6.189
133 HB3 LYS 17 HB1 LYS 17 -8.234 -3.660 4.789
134 HG2 LYS 17 HG2 LYS 17 -6.601 -4.960 3.642
135 HG3 LYS 17 HG1 LYS 17 -5.387 -4.627 4.878
136 HD2 LYS 17 HD2 LYS 17 -6.271 -6.840 5.195
137 HD3 LYS 17 HD1 LYS 17 -6.790 -5.798 6.519
138 HE2 LYS 17 HE2 LYS 17 -8.603 -7.258 5.709
139 HE3 LYS 17 HE1 LYS 17 -8.977 -5.547 5.523
140 HZ1 LYS 17 HZ1 LYS 17 -9.536 -6.999 3.581
141 HZ2 LYS 17 HZ2 LYS 17 -7.881 -7.199 3.320
142 HZ3 LYS 17 HZ3 LYS 17 -8.576 -5.656 3.214
143 H TYR 18 HN TYR 18 -4.184 -2.840 4.321
144 HA TYR 18 HA TYR 18 -3.415 -1.498 6.802
145 HB2 TYR 18 HB2 TYR 18 -2.112 -3.565 5.046
146 HB3 TYR 18 HB1 TYR 18 -1.160 -2.661 6.211
147 HD1 TYR 18 HD1 TYR 18 -4.606 -4.060 6.534
148 HD2 TYR 18 HD2 TYR 18 -0.561 -4.201 7.840
149 HE1 TYR 18 HE1 TYR 18 -5.229 -5.686 8.266
150 HE2 TYR 18 HE2 TYR 18 -1.176 -5.822 9.582
151 HH TYR 18 HH TYR 18 -3.146 -6.529 10.832
152 H LYS 19 HN LYS 19 -1.733 0.088 6.832
153 HA LYS 19 HA LYS 19 -1.224 1.317 4.205
154 HB2 LYS 19 HB2 LYS 19 -3.115 2.362 5.618
155 HB3 LYS 19 HB1 LYS 19 -1.836 2.933 6.672
156 HG2 LYS 19 HG2 LYS 19 -1.788 3.564 3.749
157 HG3 LYS 19 HG1 LYS 19 -2.789 4.494 4.851
158 HD2 LYS 19 HD2 LYS 19 -0.538 4.648 6.218
159 HD3 LYS 19 HD1 LYS 19 0.171 4.348 4.631
160 HE2 LYS 19 HE2 LYS 19 -1.621 6.619 5.464
161 HE3 LYS 19 HE1 LYS 19 0.049 6.705 4.915
162 HZ1 LYS 19 HZ1 LYS 19 -2.289 5.923 3.262
163 HZ2 LYS 19 HZ2 LYS 19 -0.691 5.962 2.718
164 HZ3 LYS 19 HZ3 LYS 19 -1.463 7.393 3.177
165 H CYS 20 HN CYS 20 0.709 2.399 3.971
166 HA CYS 20 HA CYS 20 2.722 1.810 6.021
167 HB2 CYS 20 HB2 CYS 20 3.146 1.093 3.669
168 HB3 CYS 20 HB1 CYS 20 3.159 2.787 3.195
169 HA PRO 21 HA PRO 21 2.101 6.156 7.066
170 HB2 PRO 21 HB2 PRO 21 3.676 6.116 9.288
171 HB3 PRO 21 HB1 PRO 21 2.006 5.539 9.269
172 HG2 PRO 21 HG2 PRO 21 4.553 3.975 9.067
173 HG3 PRO 21 HG1 PRO 21 3.101 3.624 10.021
174 HD2 PRO 21 HD2 PRO 21 3.592 2.391 7.678
175 HD3 PRO 21 HD1 PRO 21 1.944 2.803 8.192
176 H LYS 22 HN LYS 22 4.884 4.555 6.029
177 HA LYS 22 HA LYS 22 6.663 6.820 6.352
178 HB2 LYS 22 HB2 LYS 22 7.078 4.213 4.883
179 HB3 LYS 22 HB1 LYS 22 8.321 5.410 5.222
180 HG2 LYS 22 HG2 LYS 22 6.786 3.831 7.268
181 HG3 LYS 22 HG1 LYS 22 8.451 3.535 6.762
182 HD2 LYS 22 HD2 LYS 22 8.988 5.870 7.509
183 HD3 LYS 22 HD1 LYS 22 7.370 5.949 8.202
184 HE2 LYS 22 HE2 LYS 22 7.865 4.098 9.672
185 HE3 LYS 22 HE1 LYS 22 9.445 3.885 8.920
186 HZ1 LYS 22 HZ1 LYS 22 9.694 5.074 10.968
187 HZ2 LYS 22 HZ2 LYS 22 8.549 6.227 10.507
188 HZ3 LYS 22 HZ3 LYS 22 10.027 6.133 9.692
189 H CYS 23 HN CYS 23 5.568 4.924 3.537
190 HA CYS 23 HA CYS 23 6.245 7.196 1.834
191 HB2 CYS 23 HB2 CYS 23 5.998 5.626 -0.050
192 HB3 CYS 23 HB1 CYS 23 7.131 5.026 1.148
193 H GLY 24 HN GLY 24 3.537 5.344 2.967
194 HA2 GLY 24 HA2 GLY 24 1.407 6.416 3.175
195 HA3 GLY 24 HA1 GLY 24 1.755 7.304 1.698
196 H VAL 25 HN VAL 25 2.717 4.078 1.488
197 HA VAL 25 HA VAL 25 0.830 3.681 -0.622
198 HB VAL 25 HB VAL 25 3.264 2.849 -0.523
199 HG11 VAL 25 HG11 VAL 25 1.908 0.654 1.033
200 HG12 VAL 25 HG12 VAL 25 3.251 1.676 1.557
201 HG13 VAL 25 HG13 VAL 25 3.489 0.505 0.263
202 HG21 VAL 25 HG21 VAL 25 1.086 0.987 -1.446
203 HG22 VAL 25 HG22 VAL 25 2.763 0.966 -1.989
204 HG23 VAL 25 HG23 VAL 25 1.738 2.355 -2.346
205 H ARG 26 HN ARG 26 -0.564 1.861 -0.818
206 HA ARG 26 HA ARG 26 -1.678 0.944 1.740
207 HB2 ARG 26 HB2 ARG 26 -2.973 1.673 -0.867
208 HB3 ARG 26 HB1 ARG 26 -3.772 0.573 0.247
209 HG2 ARG 26 HG2 ARG 26 -2.857 3.340 0.981
210 HG3 ARG 26 HG1 ARG 26 -4.493 2.936 0.453
211 HD2 ARG 26 HD2 ARG 26 -4.580 1.275 2.325
212 HD3 ARG 26 HD1 ARG 26 -3.054 1.938 2.901
213 HE ARG 26 HE ARG 26 -4.578 4.131 2.762
214 HH11 ARG 26 HH11 ARG 26 -5.249 0.958 4.067
215 HH12 ARG 26 HH12 ARG 26 -6.260 1.557 5.344
216 HH21 ARG 26 HH21 ARG 26 -5.932 4.925 4.433
217 HH22 ARG 26 HH22 ARG 26 -6.661 3.808 5.542
218 H TYR 27 HN TYR 27 -1.564 -1.159 2.127
219 HA TYR 27 HA TYR 27 -1.423 -2.976 -0.174
220 HB2 TYR 27 HB2 TYR 27 -0.047 -4.407 1.662
221 HB3 TYR 27 HB1 TYR 27 0.701 -3.407 0.433
222 HD1 TYR 27 HD1 TYR 27 -0.811 -2.809 3.797
223 HD2 TYR 27 HD2 TYR 27 2.504 -2.226 1.207
224 HE1 TYR 27 HE1 TYR 27 0.331 -1.514 5.548
225 HE2 TYR 27 HE2 TYR 27 3.654 -0.946 2.957
226 HH TYR 27 HH TYR 27 2.548 -0.891 6.193
227 H CYS 28 HN CYS 28 -2.171 -5.064 0.177
228 HA CYS 28 HA CYS 28 -4.631 -5.051 1.596
229 HB2 CYS 28 HB2 CYS 28 -4.943 -7.269 0.602
230 HB3 CYS 28 HB1 CYS 28 -4.410 -6.107 -0.601
231 H SER 29 HN SER 29 -1.448 -6.075 2.368
232 HA SER 29 HA SER 29 -2.109 -6.903 4.966
233 HB2 SER 29 HB2 SER 29 -3.040 -8.853 3.645
234 HB3 SER 29 HB1 SER 29 -1.401 -9.205 3.123
235 HG SER 29 HG SER 29 -2.296 -10.339 5.061
236 H LEU 30 HN LEU 30 -0.136 -8.402 5.803
237 HA LEU 30 HA LEU 30 2.205 -6.849 5.601
238 HB2 LEU 30 HB2 LEU 30 1.594 -8.321 7.517
239 HB3 LEU 30 HB1 LEU 30 1.935 -9.715 6.517
240 HG LEU 30 HG LEU 30 4.299 -8.907 6.316
241 HD11 LEU 30 HD11 LEU 30 3.915 -6.557 6.839
242 HD12 LEU 30 HD12 LEU 30 5.093 -7.271 7.938
243 HD13 LEU 30 HD13 LEU 30 3.438 -6.995 8.477
244 HD21 LEU 30 HD21 LEU 30 4.938 -9.637 8.565
245 HD22 LEU 30 HD22 LEU 30 3.692 -10.669 7.865
246 HD23 LEU 30 HD23 LEU 30 3.262 -9.473 9.086
247 H LYS 31 HN LYS 31 0.967 -9.484 3.763
248 HA LYS 31 HA LYS 31 3.209 -10.610 2.618
249 HB2 LYS 31 HB2 LYS 31 0.524 -10.035 1.359
250 HB3 LYS 31 HB1 LYS 31 1.735 -11.103 0.665
251 HG2 LYS 31 HG2 LYS 31 0.444 -11.481 3.358
252 HG3 LYS 31 HG1 LYS 31 -0.043 -12.305 1.874
253 HD2 LYS 31 HD2 LYS 31 2.687 -12.479 3.151
254 HD3 LYS 31 HD1 LYS 31 1.420 -13.696 3.290
255 HE2 LYS 31 HE2 LYS 31 1.458 -13.986 0.848
256 HE3 LYS 31 HE1 LYS 31 2.760 -12.805 0.740
257 HZ1 LYS 31 HZ1 LYS 31 2.891 -15.396 2.179
258 HZ2 LYS 31 HZ2 LYS 31 4.143 -14.264 2.083
259 HZ3 LYS 31 HZ3 LYS 31 3.608 -15.054 0.686
260 H CYS 32 HN CYS 32 1.352 -7.851 1.349
261 HA CYS 32 HA CYS 32 3.403 -7.303 -0.608
262 HB2 CYS 32 HB2 CYS 32 0.827 -5.866 0.056
263 HB3 CYS 32 HB1 CYS 32 1.893 -5.445 -1.283
264 H TYR 33 HN TYR 33 2.587 -6.303 2.565
265 HA TYR 33 HA TYR 33 3.770 -3.784 2.736
266 HB2 TYR 33 HB2 TYR 33 2.451 -5.059 4.516
267 HB3 TYR 33 HB1 TYR 33 3.939 -5.922 4.867
268 HD1 TYR 33 HD1 TYR 33 5.381 -3.013 4.182
269 HD2 TYR 33 HD2 TYR 33 2.566 -4.529 6.983
270 HE1 TYR 33 HE1 TYR 33 5.986 -1.217 5.763
271 HE2 TYR 33 HE2 TYR 33 3.176 -2.756 8.571
272 HH TYR 33 HH TYR 33 5.044 -1.270 9.036
273 H LYS 34 HN LYS 34 5.197 -6.968 3.408
274 HA LYS 34 HA LYS 34 7.859 -5.813 3.415
275 HB2 LYS 34 HB2 LYS 34 6.924 -8.634 3.948
276 HB3 LYS 34 HB1 LYS 34 8.580 -8.069 4.123
277 HG2 LYS 34 HG2 LYS 34 7.803 -6.452 5.825
278 HG3 LYS 34 HG1 LYS 34 6.187 -7.143 5.697
279 HD2 LYS 34 HD2 LYS 34 7.307 -8.103 7.600
280 HD3 LYS 34 HD1 LYS 34 7.114 -9.338 6.356
281 HE2 LYS 34 HE2 LYS 34 9.329 -9.456 7.360
282 HE3 LYS 34 HE1 LYS 34 9.436 -9.003 5.663
283 HZ1 LYS 34 HZ1 LYS 34 10.900 -7.690 7.103
284 HZ2 LYS 34 HZ2 LYS 34 9.552 -7.089 7.925
285 HZ3 LYS 34 HZ3 LYS 34 9.775 -6.727 6.290
286 H ASP 35 HN ASP 35 6.739 -5.607 0.932
287 HA ASP 35 HA ASP 35 8.335 -7.521 -0.633
288 HB2 ASP 35 HB2 ASP 35 5.986 -7.455 -1.323
289 HB3 ASP 35 HB1 ASP 35 6.065 -5.708 -1.503
290 H ALA 36 HN ALA 36 10.076 -6.746 -1.740
291 HA ALA 36 HA ALA 36 10.534 -3.841 -1.565
292 HB1 ALA 36 HB1 ALA 36 12.594 -6.043 -1.616
293 HB2 ALA 36 HB2 ALA 36 12.078 -5.146 -0.188
294 HB3 ALA 36 HB3 ALA 36 12.921 -4.314 -1.496
295 H ALA 37 HN ALA 37 9.202 -5.432 -3.701
296 HA ALA 37 HA ALA 37 11.019 -4.767 -5.932
297 HB1 ALA 37 HB1 ALA 37 8.694 -6.691 -5.856
298 HB2 ALA 37 HB2 ALA 37 10.404 -7.122 -5.877
299 HB3 ALA 37 HB3 ALA 37 9.676 -6.333 -7.277
300 H LYS 38 HN LYS 38 7.681 -4.712 -4.822
301 HA LYS 38 HA LYS 38 7.004 -2.617 -6.762
302 HB2 LYS 38 HB2 LYS 38 5.304 -4.138 -4.795
303 HB3 LYS 38 HB1 LYS 38 4.699 -2.977 -5.969
304 HG2 LYS 38 HG2 LYS 38 6.114 -5.543 -6.642
305 HG3 LYS 38 HG1 LYS 38 4.369 -5.312 -6.637
306 HD2 LYS 38 HD2 LYS 38 4.656 -3.520 -8.330
307 HD3 LYS 38 HD1 LYS 38 6.374 -3.927 -8.403
308 HE2 LYS 38 HE2 LYS 38 4.085 -5.791 -9.000
309 HE3 LYS 38 HE1 LYS 38 5.114 -5.009 -10.201
310 HZ1 LYS 38 HZ1 LYS 38 7.011 -6.207 -9.299
311 HZ2 LYS 38 HZ2 LYS 38 5.805 -7.286 -9.783
312 HZ3 LYS 38 HZ3 LYS 38 6.026 -6.950 -8.141
313 H HIS 39 HN HIS 39 6.920 -3.326 -3.308
314 HA HIS 39 HA HIS 39 6.263 -0.617 -2.582
315 HB2 HIS 39 HB2 HIS 39 5.478 -2.590 -1.283
316 HB3 HIS 39 HB1 HIS 39 7.143 -2.945 -0.850
317 HD1 HIS 39 HD1 HIS 39 6.914 -2.558 1.667
318 HD2 HIS 39 HD2 HIS 39 5.613 0.640 -0.650
319 HE1 HIS 39 HE1 HIS 39 6.524 -0.635 3.261
320 H VAL 40 HN VAL 40 7.859 0.809 -3.088
321 HA VAL 40 HA VAL 40 10.612 0.056 -2.439
322 HB VAL 40 HB VAL 40 9.673 2.282 -4.247
323 HG11 VAL 40 HG11 VAL 40 12.003 2.352 -4.996
324 HG12 VAL 40 HG12 VAL 40 12.421 1.114 -3.813
325 HG13 VAL 40 HG13 VAL 40 11.868 2.699 -3.272
326 HG21 VAL 40 HG21 VAL 40 9.089 0.094 -5.159
327 HG22 VAL 40 HG22 VAL 40 10.755 -0.445 -4.954
328 HG23 VAL 40 HG23 VAL 40 10.380 0.846 -6.095
329 H HIS 41 HN HIS 41 11.684 0.965 -0.908
330 HA HIS 41 HA HIS 41 10.814 3.574 0.122
331 HB2 HIS 41 HB2 HIS 41 11.507 1.068 1.542
332 HB3 HIS 41 HB1 HIS 41 12.114 2.562 2.245
333 HD1 HIS 41 HD1 HIS 41 10.190 1.229 4.003
334 HD2 HIS 41 HD2 HIS 41 8.921 3.675 0.894
335 HE1 HIS 41 HE1 HIS 41 7.934 2.144 4.689
336 H LYS 42 HN LYS 42 12.234 4.827 -0.985
337 HA LYS 42 HA LYS 42 15.060 4.187 -0.936
338 HB2 LYS 42 HB2 LYS 42 15.345 6.214 -2.281
339 HB3 LYS 42 HB1 LYS 42 14.105 5.178 -2.972
340 HG2 LYS 42 HG2 LYS 42 12.364 6.597 -2.119
341 HG3 LYS 42 HG1 LYS 42 13.540 7.575 -1.239
342 HD2 LYS 42 HD2 LYS 42 14.563 8.240 -3.371
343 HD3 LYS 42 HD1 LYS 42 13.361 7.284 -4.238
344 HE2 LYS 42 HE2 LYS 42 11.581 8.681 -3.339
345 HE3 LYS 42 HE1 LYS 42 12.763 9.619 -2.425
346 HZ1 LYS 42 HZ1 LYS 42 12.119 10.732 -4.474
347 HZ2 LYS 42 HZ2 LYS 42 12.654 9.414 -5.386
348 HZ3 LYS 42 HZ3 LYS 42 13.761 10.332 -4.498
349 H GLU 43 HN GLU 43 16.601 5.314 0.208
350 HA GLU 43 HA GLU 43 15.649 7.458 1.954
351 HB2 GLU 43 HB2 GLU 43 17.634 6.454 3.486
352 HB3 GLU 43 HB1 GLU 43 15.941 6.044 3.687
353 HG2 GLU 43 HG2 GLU 43 17.259 4.051 3.777
354 HG3 GLU 43 HG1 GLU 43 16.289 4.037 2.309
355 H SER 44 HN SER 44 17.084 9.106 2.352
356 HA SER 44 HA SER 44 19.569 9.097 0.811
357 HB2 SER 44 HB2 SER 44 17.767 10.068 -0.603
358 HB3 SER 44 HB1 SER 44 17.469 11.274 0.643
359 HG SER 44 HG SER 44 19.814 10.922 -0.911
360 H GLU 45 HN GLU 45 19.873 8.736 3.297
361 HA GLU 45 HA GLU 45 20.141 11.332 4.633
362 HB2 GLU 45 HB2 GLU 45 20.562 9.923 6.687
363 HB3 GLU 45 HB1 GLU 45 18.947 9.804 6.006
364 HG2 GLU 45 HG2 GLU 45 19.545 7.694 4.937
365 HG3 GLU 45 HG1 GLU 45 21.172 7.816 5.607
366 H GLN 46 HN GLN 46 21.856 10.850 2.570
367 HA GLN 46 HA GLN 46 24.418 10.674 3.944
368 HB2 GLN 46 HB2 GLN 46 25.297 9.271 2.016
369 HB3 GLN 46 HB1 GLN 46 24.244 8.451 3.157
370 HG2 GLN 46 HG2 GLN 46 22.362 8.759 1.589
371 HG3 GLN 46 HG1 GLN 46 23.481 9.480 0.436
372 HE21 GLN 46 HE21 GLN 46 24.990 8.183 -0.596
373 HE22 GLN 46 HE22 GLN 46 24.856 6.460 -0.619